| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 46.9 | Very low | 62.4 | Low | 103 Ų | 103 | 83.2 Ų | 83.2 | 51% | 0.507 | 41% | 0.409 | S | S | . | . | 0 | -16.2 | 0 | -100.4 | 150.7 | 149.8 | 0 | 0 | 115.9 | F3 I4 F39 C43 T44 A79 | M1-F3 PolarHBondContact O-N 3.32Å; M1-F3 VanDerWaalsContact O-N 3.1Å; M1-I4 HydrophobicContact CG-CD1 4.15Å; M1-I4 PolarHBondContact O-N 2.61Å; M1-F39 HydrophobicContact CE-CZ 4.49Å; M1-C43 WeakPolarHBondContact CE-O 3.23Å; M1-T44 VanDerWaalsContact CE-CA 3.5Å; M1-T44 HydrophobicContact CE-CG2 3.53Å; M1-T44 HydrophobicContact CG-CG2 3.89Å; M1-T44 HydrophobicContact SD-CG2 4.3Å; M1-A79 HydrophobicContact CE-CB 3.56Å | |||
| 2 | R | 42.1 | Very low | 65.3 | Low | 236 Ų | 236 | 77.2 Ų | 77.2 | 89% | 0.891 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -19.2 | 177.3 | -68.8 | -177 | -179.6 | 179 | -0.3 | 115.6 | I4 | R2-I4 VanDerWaalsContact C-N 3.31Å; R2-I4 PolarHBondContact O-N 2.85Å |
| 3 | F | 48.8 | Very low | 67.8 | Low | 179 Ų | 179 | 73.4 Ų | 73.4 | 79% | 0.785 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -22.7 | 176.5 | -101.6 | -88.7 | 0 | 0 | 0 | 113.8 | M1 S6 | M1-F3 PolarHBondContact O-N 3.32Å; M1-F3 VanDerWaalsContact O-N 3.1Å; F3-S6 WeakPolarHBondContact O-CB 3.27Å; F3-S6 PolarHBondContact O-N 2.97Å; F3-S6 VanDerWaalsContact O-N 3.09Å; F3-S6 PolarHBondContact O-OG 2.94Å |
| 4 | I | 52.9 | Low | 69.9 | Low | 33 Ų | 33 | 72.8 Ų | 72.8 | 17% | 0.169 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | -69.9 | -39 | -176.2 | -68.2 | 165 | 0 | 0 | 0 | 111.6 | M1 R2 S6 L7 F8 F39 T40 T44 | M1-I4 HydrophobicContact CG-CD1 4.15Å; M1-I4 PolarHBondContact O-N 2.61Å; R2-I4 VanDerWaalsContact C-N 3.31Å; R2-I4 PolarHBondContact O-N 2.85Å; I4-S6 PolarHBondContact O-N 2.66Å; I4-S6 VanDerWaalsContact O-N 3.1Å; I4-L7 VanDerWaalsContact O-CB 3.27Å; I4-L7 WeakPolarHBondContact O-CB 3.15Å; I4-L7 PolarHBondContact O-N 3.01Å; I4-F8 HydrophobicContact CG2-CZ 4.21Å; I4-F39 HydrophobicContact CD1-CE1 3.82Å; I4-T40 HydrophobicContact CG2-CG2 4.03Å; I4-T40 WeakPolarHBondContact CG2-OG1 3.46Å; I4-T44 HydrophobicContact CD1-CG2 3.56Å |
| 5 | C | 50 | Low | 71.7 | Confident | 38 Ų | 38 | 71.5 Ų | 71.5 | 26% | 0.257 | 36% | 0.356 | S | S | . | . | G | 310 helix | trans | -64 | -13.8 | 171.6 | -76.3 | 0 | 0 | 0 | 0 | 114 | L7 F8 A46 | C5-L7 VanDerWaalsContact C-N 3.33Å; C5-F8 VanDerWaalsContact O-O 3.08Å; C5-A46 HydrophobicContact CB-CB 4.4Å; C5-A46 WeakPolarHBondContact SG-CB 3.46Å; C5-A46 PolarHBondContact SG-O 3.27Å; C5-A46 VanDerWaalsContact SG-O 3.41Å |
| 6 | S | 52.5 | Low | 73.3 | Confident | 64 Ų | 64 | 68.6 Ų | 68.6 | 45% | 0.448 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | -82.5 | -12.1 | 171.6 | 79.5 | 0 | 0 | 0 | 0 | 113.1 | F3 I4 | F3-S6 WeakPolarHBondContact O-CB 3.27Å; F3-S6 PolarHBondContact O-N 2.97Å; F3-S6 VanDerWaalsContact O-N 3.09Å; F3-S6 PolarHBondContact O-OG 2.94Å; I4-S6 PolarHBondContact O-N 2.66Å; I4-S6 VanDerWaalsContact O-N 3.1Å |
| 7 | L | 61.1 | Low | 74.7 | Confident | 52 Ų | 52 | 72 Ų | 72 | 27% | 0.272 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -34.4 | 177.8 | -62.5 | 174.6 | 0 | 0 | 0 | 111.7 | I4 C5 R185 M195 R198 | I4-L7 VanDerWaalsContact O-CB 3.27Å; I4-L7 WeakPolarHBondContact O-CB 3.15Å; I4-L7 PolarHBondContact O-N 3.01Å; C5-L7 VanDerWaalsContact C-N 3.33Å; L7-R185 PolarHBondContact O-NH2 2.72Å; L7-M195 HydrophobicContact CD2-CG 4.32Å; L7-M195 HydrophobicContact CD2-SD 3.76Å; L7-R198 WeakPolarHBondContact O-CG 3.39Å |
| 8 | F | 68.3 | Low | 76 | Confident | 9 Ų | 9 | 68.6 Ų | 68.6 | 4% | 0.039 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -156.4 | 137.5 | 174.5 | 30.1 | -84.4 | 0 | 0 | 0 | 109.1 | I4 C5 S10 A36 T40 P196 R199 I201 | I4-F8 HydrophobicContact CG2-CZ 4.21Å; C5-F8 VanDerWaalsContact O-O 3.08Å; F8-S10 WeakPolarHBondContact CD2-OG 3.45Å; F8-S10 PolarHBondContact O-N 2.91Å; F8-S10 VanDerWaalsContact O-N 3.12Å; F8-A36 HydrophobicContact CE2-CB 4.2Å; F8-A36 HydrophobicContact CZ-CB 4Å; F8-T40 VanDerWaalsContact CE2-OG1 3.31Å; F8-T40 WeakPolarHBondContact CE2-OG1 3.34Å; F8-P196 HydrophobicContact CD1-CB 3.87Å; F8-P196 HydrophobicContact CD1-CG 3.42Å; F8-P196 VanDerWaalsContact CD1-CG 3.42Å; F8-P196 HydrophobicContact CE1-CB 4.01Å; F8-P196 HydrophobicContact CE1-CG 3.17Å; F8-P196 HydrophobicContact CZ-CG 4.29Å; F8-R199 WeakPolarHBondContact CB-O 3.24Å; F8-I201 HydrophobicContact CD2-CD1 3.75Å; F8-I201 HydrophobicContact CE2-CD1 4.12Å; F8-I201 HydrophobicContact CG-CD1 4.42Å |
| 9 | P | 82.4 | Confident | 77.2 | Confident | 77 Ų | 77 | 67.3 Ų | 67.3 | 50% | 0.5 | 34% | 0.343 | S | S | . | . | trans | -63.8 | 113 | 175.9 | -15.8 | 28.7 | 0 | 0 | 0 | 109.6 | P200 I201 | P9-P200 HydrophobicContact CB-CB 4.38Å; P9-P200 CarbonylContact O-C 3.51Å; P9-P200 VanDerWaalsContact O-CA 3.24Å; P9-P200 WeakPolarHBondContact O-CA 3.43Å; P9-I201 PolarHBondContact O-N 2.65Å | ||
| 10 | S | 88 | Confident | 78.2 | Confident | 22 Ų | 22 | 66.7 Ų | 66.7 | 15% | 0.154 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 139 | 177.7 | -64.2 | 0 | 0 | 0 | 0 | 111.1 | F8 T47 I201 | F8-S10 WeakPolarHBondContact CD2-OG 3.45Å; F8-S10 PolarHBondContact O-N 2.91Å; F8-S10 VanDerWaalsContact O-N 3.12Å; S10-T47 WeakPolarHBondContact O-CG2 3.32Å; S10-I201 CarbonylContact C-O 3.6Å; S10-I201 VanDerWaalsContact CA-O 3.31Å; S10-I201 WeakPolarHBondContact CA-O 3.14Å |
| 11 | Q | 93.5 | Very high | 79.2 | Confident | 102 Ų | 102 | 72 Ų | 72 | 48% | 0.477 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 132.2 | 173.8 | -178.2 | 177.7 | -23.6 | 0 | 0 | 109.9 | V13 I201 Y202 T203 | Q11-V13 HydrophobicContact CG-CG2 4.02Å; Q11-I201 PolarHBondContact N-O 3.05Å; Q11-Y202 HydrophobicContact CB-CD1 3.9Å; Q11-Y202 HydrophobicContact CB-CE1 4.34Å; Q11-T203 PolarHBondContact O-N 3.33Å |
| 12 | L | 96.6 | Very high | 81.6 | Confident | 11 Ų | 11 | 70.8 Ų | 70.8 | 6% | 0.058 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 119.7 | 171.4 | -172.1 | 63.9 | 0 | 0 | 0 | 108.8 | N41 F42 F49 L52 F53 T203 V205 | L12-N41 HydrophobicContact CD1-CB 4.05Å; L12-N41 HydrophobicContact CD2-CB 4.41Å; L12-F42 HydrophobicContact CD1-CE1 4.3Å; L12-F42 HydrophobicContact CD1-CZ 4.12Å; L12-F42 HydrophobicContact CD2-CE1 4.48Å; L12-F49 HydrophobicContact CD2-CB 4.1Å; L12-F49 HydrophobicContact CD2-CD2 3.84Å; L12-F49 HydrophobicContact CD2-CG 4.48Å; L12-L52 HydrophobicContact CB-CD1 3.99Å; L12-L52 HydrophobicContact CD2-CD1 3.92Å; L12-L52 HydrophobicContact CG-CD1 3.98Å; L12-F53 HydrophobicContact CD2-CE2 4.36Å; L12-T203 CarbonylContact C-O 3.56Å; L12-T203 WeakPolarHBondContact CA-O 3.43Å; L12-T203 HydrophobicContact CD1-CG2 3.88Å; L12-V205 HydrophobicContact CD1-CG2 3.59Å; L12-V205 HydrophobicContact CG-CG2 4.28Å |
| 13 | V | 97.7 | Very high | 84.3 | Confident | 28 Ų | 28 | 60.4 Ų | 60.4 | 17% | 0.17 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 120.2 | -177.6 | -178.2 | 0 | 0 | 0 | 0 | 108.9 | Q11 T203 V204 V205 | Q11-V13 HydrophobicContact CG-CG2 4.02Å; V13-T203 PolarHBondContact N-O 3.18Å; V13-V204 HydrophobicContact CB-CG1 4.48Å; V13-V204 HydrophobicContact CB-CG2 4.27Å; V13-V204 HydrophobicContact CG1-CG1 4.44Å; V13-V205 PolarHBondContact O-N 3.05Å |
| 14 | K | 97.1 | Very high | 86.7 | Confident | 65 Ų | 65 | 52 Ų | 52 | 28% | 0.283 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 125.8 | 176.8 | 173.1 | 179.5 | 175.7 | -175.1 | 0 | 109.8 | A16 D17 L52 F53 | K14-A16 WeakPolarHBondContact CE-O 3.2Å; K14-A16 VanDerWaalsContact CG-O 3.29Å; K14-A16 WeakPolarHBondContact CG-O 3.12Å; K14-D17 WeakPolarHBondContact CE-OD1 3.47Å; K14-D17 IonicContact NZ-OD1 2.76Å; K14-D17 PolarHBondContact NZ-OD1 3.21Å; K14-L52 HydrophobicContact CB-CD2 4.18Å; K14-L52 HydrophobicContact CD-CB 4.33Å; K14-L52 HydrophobicContact CD-CD2 4.39Å; K14-L52 WeakPolarHBondContact CD-O 3.35Å; K14-L52 WeakPolarHBondContact CE-O 3.33Å; K14-L52 PolarHBondContact NZ-O 3.37Å; K14-F53 HydrophobicContact CB-CE1 4.41Å; K14-F53 HydrophobicContact CB-CZ 3.89Å; K14-F53 HydrophobicContact CD-CD1 4.29Å; K14-F53 HydrophobicContact CD-CE1 3.75Å; K14-F53 HydrophobicContact CD-CZ 4Å; K14-F53 HydrophobicContact CG-CE1 3.7Å; K14-F53 HydrophobicContact CG-CZ 3.68Å |
| 15 | T | 97.8 | Very high | 88.9 | Confident | 53 Ų | 53 | 50.5 Ų | 50.5 | 33% | 0.325 | 27% | 0.27 | S | S | . | . | trans | -100.6 | -21.8 | 175.3 | 66.2 | 0 | 0 | 0 | 0 | 113.5 | V204 V205 G206 L236 | T15-V204 HydrophobicContact CG2-CG1 3.52Å; T15-V205 WeakPolarHBondContact CB-O 3.49Å; T15-V205 WeakPolarHBondContact CG2-O 3.11Å; T15-V205 PolarHBondContact N-O 3.37Å; T15-V205 PolarHBondContact OG1-O 2.63Å; T15-G206 VanDerWaalsContact OG1-C 3.25Å; T15-G206 VanDerWaalsContact OG1-CA 3.31Å; T15-G206 WeakPolarHBondContact OG1-CA 3.17Å; T15-L236 HydrophobicContact CG2-CD1 4.19Å | ||
| 16 | A | 97.2 | Very high | 91.2 | Very high | 26 Ų | 26 | 48.7 Ų | 48.7 | 22% | 0.215 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -150 | 159.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | K14 R207 | K14-A16 WeakPolarHBondContact CE-O 3.2Å; K14-A16 VanDerWaalsContact CG-O 3.29Å; K14-A16 WeakPolarHBondContact CG-O 3.12Å; A16-R207 HydrophobicContact CB-CB 4.4Å; A16-R207 HydrophobicContact CB-CG 3.94Å |
| 17 | D | 97.8 | Very high | 93.4 | Very high | 126 Ų | 126 | 45.6 Ų | 45.6 | 67% | 0.674 | 24% | 0.236 | S | C | * | . | trans | -69.3 | 143.2 | 169.3 | -70.4 | -49.4 | 0 | 0 | 0 | 111.6 | K14 | K14-D17 WeakPolarHBondContact CE-OD1 3.47Å; K14-D17 IonicContact NZ-OD1 2.76Å; K14-D17 PolarHBondContact NZ-OD1 3.21Å | ||
| 18 | L | 98.1 | Very high | 95.2 | Very high | 11 Ų | 11 | 43.1 Ų | 43.1 | 6% | 0.058 | 22% | 0.223 | C | C | . | . | trans | -113.1 | 119.2 | 169.7 | -58.7 | -178 | 0 | 0 | 0 | 107.9 | P20 Y24 F53 L56 V142 P208 | L18-P20 WeakPolarHBondContact O-CD 3.35Å; L18-Y24 HydrophobicContact CB-CE1 4.3Å; L18-Y24 HydrophobicContact CB-CE2 3.99Å; L18-Y24 HydrophobicContact CD2-CD1 4.23Å; L18-Y24 HydrophobicContact CD2-CE1 3.85Å; L18-F53 HydrophobicContact CB-CD1 3.94Å; L18-F53 HydrophobicContact CB-CE1 4.41Å; L18-F53 HydrophobicContact CD1-CD1 3.67Å; L18-F53 HydrophobicContact CD1-CE1 3.71Å; L18-F53 HydrophobicContact CD1-CG 4.34Å; L18-F53 HydrophobicContact CD1-CZ 4.41Å; L18-F53 HydrophobicContact CG-CD1 3.68Å; L18-F53 HydrophobicContact CG-CE1 3.67Å; L18-L56 HydrophobicContact CB-CD1 3.73Å; L18-L56 HydrophobicContact CD1-CD1 3.74Å; L18-L56 HydrophobicContact CG-CD1 4.39Å; L18-V142 HydrophobicContact CD1-CG2 4.39Å; L18-V142 HydrophobicContact CD2-CG2 3.96Å; L18-P208 HydrophobicContact CD2-CB 3.86Å; L18-P208 HydrophobicContact CD2-CG 3.94Å | ||
| 19 | D | 97.9 | Very high | 96.6 | Very high | 43 Ų | 43 | 42.7 Ų | 42.7 | 23% | 0.23 | 22% | 0.221 | C | C | . | . | trans | -69.7 | 118.1 | 179.8 | -176.8 | -15.9 | 0 | 0 | 0 | 110.9 | R21 H22 Y24 | D19-R21 PolarHBondContact O-N 3.01Å; D19-R21 VanDerWaalsContact OD1-CB 3.24Å; D19-R21 WeakPolarHBondContact OD1-CB 3.11Å; D19-R21 VanDerWaalsContact OD1-CG 3.27Å; D19-R21 WeakPolarHBondContact OD1-CG 3.29Å; D19-R21 IonicContact OD1-CZ 3.2Å; D19-R21 PolarHBondContact OD1-N 3.16Å; D19-R21 IonicContact OD1-NE 2.94Å; D19-R21 PolarHBondContact OD1-NE 2.98Å; D19-R21 IonicContact OD1-NH2 2.66Å; D19-R21 IonicContact OD2-CZ 2.61Å; D19-R21 IonicContact OD2-NE 4Å; D19-R21 PolarHBondContact OD2-NE 2.91Å; D19-R21 IonicContact OD2-NH2 3.93Å; D19-R21 PolarHBondContact OD2-NH2 2.83Å; D19-H22 PolarHBondContact O-N 3.35Å; D19-H22 IonicContact OD2-CD2 3.01Å; D19-H22 IonicContact OD2-NE2 2.62Å; D19-Y24 PolarHBondContact N-OH 3.36Å; D19-Y24 WeakPolarHBondContact O-CE2 3.4Å; D19-Y24 PolarHBondContact O-OH 2.93Å; D19-Y24 VanDerWaalsContact O-OH 3.05Å | ||
| 20 | P | 97.8 | Very high | 97.2 | Very high | 56 Ų | 56 | 39.4 Ų | 39.4 | 36% | 0.364 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -5.5 | -177.3 | 29.2 | -36.4 | 0 | 0 | 0 | 114.1 | L18 H22 L56 G98 G99 | L18-P20 WeakPolarHBondContact O-CD 3.35Å; P20-H22 VanDerWaalsContact C-N 3.25Å; P20-L56 HydrophobicContact CB-CD2 4.23Å; P20-G98 CarbonylContact O-C 3.33Å; P20-G99 WeakPolarHBondContact O-CA 3.43Å; P20-G99 PolarHBondContact O-N 3.39Å |
| 21 | R | 97.9 | Very high | 97.4 | Very high | 179 Ų | 179 | 39.8 Ų | 39.8 | 68% | 0.675 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78 | -10.2 | 171.9 | -59.8 | 175.9 | -65.8 | 178.8 | 2.2 | 113 | D19 G98 | D19-R21 PolarHBondContact O-N 3.01Å; D19-R21 VanDerWaalsContact OD1-CB 3.24Å; D19-R21 WeakPolarHBondContact OD1-CB 3.11Å; D19-R21 VanDerWaalsContact OD1-CG 3.27Å; D19-R21 WeakPolarHBondContact OD1-CG 3.29Å; D19-R21 IonicContact OD1-CZ 3.2Å; D19-R21 PolarHBondContact OD1-N 3.16Å; D19-R21 IonicContact OD1-NE 2.94Å; D19-R21 PolarHBondContact OD1-NE 2.98Å; D19-R21 IonicContact OD1-NH2 2.66Å; D19-R21 IonicContact OD2-CZ 2.61Å; D19-R21 IonicContact OD2-NE 4Å; D19-R21 PolarHBondContact OD2-NE 2.91Å; D19-R21 IonicContact OD2-NH2 3.93Å; D19-R21 PolarHBondContact OD2-NH2 2.83Å; R21-G98 WeakPolarHBondContact O-CA 3.37Å |
| 22 | H | 98.3 | Very high | 97.1 | Very high | 77 Ų | 77 | 35 Ų | 35 | 36% | 0.356 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -110.2 | 160.5 | 177.1 | -61.1 | -51.6 | 0 | 0 | 0 | 112 | D19 P20 Y24 G99 | D19-H22 PolarHBondContact O-N 3.35Å; D19-H22 IonicContact OD2-CD2 3.01Å; D19-H22 IonicContact OD2-NE2 2.62Å; P20-H22 VanDerWaalsContact C-N 3.25Å; H22-Y24 HydrophobicContact CB-CE2 3.97Å; H22-Y24 WeakPolarHBondContact O-CE2 3.47Å; H22-G99 PolarHBondContact O-N 3.26Å |
| 23 | N | 98.6 | Very high | 96.6 | Very high | 17 Ų | 17 | 35 Ų | 35 | 9% | 0.091 | 18% | 0.177 | C | C | . | . | trans | -101.8 | 150 | 169.2 | -65.2 | -42.9 | 0 | 0 | 0 | 108.9 | L93 K95 G98 G99 S100 A139 H140 | N23-L93 HydrophobicContact CB-CD2 3.98Å; N23-L93 PolarHBondContact ND2-O 3.06Å; N23-K95 PolarHBondContact ND2-O 2.75Å; N23-G98 WeakPolarHBondContact OD1-CA 3.36Å; N23-G99 PolarHBondContact OD1-N 2.89Å; N23-S100 CarbonylContact C-O 3.51Å; N23-S100 WeakPolarHBondContact CA-O 3.49Å; N23-S100 WeakPolarHBondContact OD1-CB 3.24Å; N23-S100 PolarHBondContact OD1-N 2.8Å; N23-S100 VanDerWaalsContact OD1-N 3.1Å; N23-A139 HydrophobicContact CB-CB 4.26Å; N23-A139 CarbonylContact O-C 3.55Å; N23-A139 VanDerWaalsContact O-CA 3.26Å; N23-A139 WeakPolarHBondContact O-CA 3.23Å; N23-H140 PolarHBondContact O-N 2.97Å | ||
| 24 | Y | 98.8 | Very high | 95.9 | Very high | 4 Ų | 4 | 38.1 Ų | 38.1 | 2% | 0.016 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 146.9 | -173.4 | -61.5 | -86.2 | 0 | 0 | 0 | 111.7 | L18 D19 H22 L56 S100 A101 V102 H140 V142 P208 | L18-Y24 HydrophobicContact CB-CE1 4.3Å; L18-Y24 HydrophobicContact CB-CE2 3.99Å; L18-Y24 HydrophobicContact CD2-CD1 4.23Å; L18-Y24 HydrophobicContact CD2-CE1 3.85Å; D19-Y24 PolarHBondContact N-OH 3.36Å; D19-Y24 WeakPolarHBondContact O-CE2 3.4Å; D19-Y24 PolarHBondContact O-OH 2.93Å; D19-Y24 VanDerWaalsContact O-OH 3.05Å; H22-Y24 HydrophobicContact CB-CE2 3.97Å; H22-Y24 WeakPolarHBondContact O-CE2 3.47Å; Y24-L56 HydrophobicContact CD2-CD1 4.03Å; Y24-L56 HydrophobicContact CD2-CD2 4.12Å; Y24-L56 HydrophobicContact CE2-CD1 4.23Å; Y24-L56 HydrophobicContact CE2-CD2 4.06Å; Y24-S100 PolarHBondContact N-O 3.16Å; Y24-A101 WeakPolarHBondContact O-CA 3.35Å; Y24-V102 PolarHBondContact O-N 3.49Å; Y24-H140 CarbonylContact C-O 3.58Å; Y24-H140 VanDerWaalsContact CA-O 3.22Å; Y24-H140 WeakPolarHBondContact CA-O 3.41Å; Y24-H140 HydrophobicContact CD1-CB 3.68Å; Y24-H140 HydrophobicContact CE1-CB 3.71Å; Y24-V142 HydrophobicContact CD1-CG2 3.68Å; Y24-V142 HydrophobicContact CE1-CG2 4.43Å; Y24-V142 HydrophobicContact CG-CG2 4.39Å; Y24-P208 HydrophobicContact CE1-CB 3.99Å |
| 25 | I | 98.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 113.4 | 160.6 | -62.9 | -177.5 | 0 | 0 | 0 | 107.5 | L93 V102 I104 F130 I133 A134 A139 H140 L141 V142 | I25-L93 HydrophobicContact CD1-CD1 3.69Å; I25-L93 HydrophobicContact CG1-CD1 3.82Å; I25-L93 HydrophobicContact CG1-CD2 4.21Å; I25-V102 CarbonylContact C-O 3.39Å; I25-V102 VanDerWaalsContact CA-O 3.29Å; I25-V102 WeakPolarHBondContact CA-O 3.5Å; I25-I104 HydrophobicContact CG2-CD1 3.69Å; I25-I104 HydrophobicContact CG2-CG1 4.05Å; I25-F130 HydrophobicContact CG2-CD2 4.29Å; I25-I133 HydrophobicContact CD1-CB 4.15Å; I25-I133 HydrophobicContact CD1-CG2 3.83Å; I25-A134 HydrophobicContact CD1-CB 3.92Å; I25-A139 HydrophobicContact CG1-CB 4.18Å; I25-H140 PolarHBondContact N-O 3.06Å; I25-L141 HydrophobicContact CB-CD2 4.08Å; I25-L141 HydrophobicContact CG2-CD2 4.23Å; I25-L141 WeakPolarHBondContact O-CA 3.1Å; I25-V142 PolarHBondContact O-N 3.22Å |
| 26 | L | 98.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 106.5 | 175.3 | -79.6 | 62.2 | 0 | 0 | 0 | 107.5 | F28 F42 F49 A101 V102 V103 I104 V142 V144 | L26-F28 PolarHBondContact O-N 2.88Å; L26-F42 HydrophobicContact CD2-CD1 4.32Å; L26-F42 HydrophobicContact CD2-CE1 3.72Å; L26-F42 HydrophobicContact CD2-CZ 4.22Å; L26-F49 HydrophobicContact CD2-CE2 4.39Å; L26-A101 HydrophobicContact CD1-CB 3.87Å; L26-V102 PolarHBondContact N-O 3.29Å; L26-V103 HydrophobicContact CB-CB 4.46Å; L26-V103 HydrophobicContact CB-CG1 4.33Å; L26-V103 HydrophobicContact CB-CG2 4.14Å; L26-V103 HydrophobicContact CD2-CG2 4.21Å; L26-V103 WeakPolarHBondContact O-CA 3.42Å; L26-I104 PolarHBondContact O-N 3.46Å; L26-V142 WeakPolarHBondContact CA-O 3.31Å; L26-V142 HydrophobicContact CD1-CB 4.19Å; L26-V142 HydrophobicContact CD1-CG2 4.19Å; L26-V142 HydrophobicContact CG-CB 4.04Å; L26-V142 HydrophobicContact CG-CG1 4.43Å; L26-V144 HydrophobicContact CB-CG2 3.97Å; L26-V144 HydrophobicContact CD2-CG2 4.33Å; L26-V144 HydrophobicContact CG-CG2 4.11Å |
| 27 | G | 98.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 110 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | H29 V142 V144 Y229 | G27-H29 PolarHBondContact O-CD2 3.14Å; G27-H29 PolarHBondContact O-NE2 2.9Å; G27-V142 PolarHBondContact N-O 3.09Å; G27-V144 WeakPolarHBondContact O-CB 3.35Å; G27-V144 PolarHBondContact O-N 3.07Å; G27-Y229 WeakPolarHBondContact CA-OH 3.36Å; G27-Y229 PolarHBondContact O-OH 2.77Å |
| 28 | F | 98.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 131.1 | -176.2 | -178 | -88.5 | 0 | 0 | 0 | 111.1 | L26 P30 V35 A38 F42 V103 I104 A105 V106 V144 E149 T203 | L26-F28 PolarHBondContact O-N 2.88Å; F28-P30 WeakPolarHBondContact CD1-O 3.27Å; F28-P30 WeakPolarHBondContact CE1-O 3.36Å; F28-V35 HydrophobicContact CD1-CG1 3.66Å; F28-V35 HydrophobicContact CE1-CG1 3.44Å; F28-V35 VanDerWaalsContact CE1-CG1 3.44Å; F28-V35 HydrophobicContact CZ-CG1 4.31Å; F28-A38 HydrophobicContact CD1-CB 3.92Å; F28-A38 HydrophobicContact CD2-CB 3.84Å; F28-A38 HydrophobicContact CE1-CB 3.83Å; F28-A38 HydrophobicContact CE2-CB 3.74Å; F28-A38 HydrophobicContact CG-CB 3.92Å; F28-A38 HydrophobicContact CZ-CB 3.73Å; F28-F42 AromaticContact CD2-CE2 3.82Å; F28-F42 HydrophobicContact CD2-CE2 3.82Å; F28-F42 HydrophobicContact CE2-CE2 4.17Å; F28-V103 HydrophobicContact CB-CG1 4.14Å; F28-I104 PolarHBondContact N-O 3.05Å; F28-A105 HydrophobicContact CD1-CB 4.36Å; F28-A105 WeakPolarHBondContact O-CA 3.27Å; F28-V106 PolarHBondContact O-N 3.41Å; F28-V144 HydrophobicContact CD2-CB 4.49Å; F28-V144 HydrophobicContact CD2-CG1 3.79Å; F28-V144 HydrophobicContact CE2-CG1 4.42Å; F28-E149 HydrophobicContact CE1-CG 4.25Å; F28-E149 HydrophobicContact CZ-CG 4.38Å; F28-T203 HydrophobicContact CD2-CG2 4.27Å; F28-T203 HydrophobicContact CE2-CG2 3.78Å |
| 29 | H | 97.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 147.2 | -178.2 | -53.2 | -87.6 | 0 | 0 | 0 | 111.6 | G27 V106 V122 V144 F145 S146 Y229 L233 | G27-H29 PolarHBondContact O-CD2 3.14Å; G27-H29 PolarHBondContact O-NE2 2.9Å; H29-V106 VanDerWaalsContact CE1-CB 3.45Å; H29-V106 WeakPolarHBondContact CE1-CB 3.33Å; H29-V122 HydrophobicContact CB-CG1 3.99Å; H29-V122 HydrophobicContact CB-CG2 4.32Å; H29-V122 WeakPolarHBondContact ND1-CG1 3.39Å; H29-V144 PolarHBondContact CD2-O 2.78Å; H29-V144 PolarHBondContact N-O 3.44Å; H29-F145 HydrophobicContact CB-CD2 4.06Å; H29-F145 HydrophobicContact CB-CE2 4.44Å; H29-F145 CarbonylContact O-C 3.59Å; H29-F145 VanDerWaalsContact O-CA 3.31Å; H29-F145 WeakPolarHBondContact O-CA 3.42Å; H29-S146 PolarHBondContact O-N 2.87Å; H29-Y229 PolarHBondContact CD2-OH 3.31Å; H29-Y229 AromaticContact NE2-CE1 3.61Å; H29-Y229 AromaticContact NE2-CZ 3.65Å; H29-Y229 PolarHBondContact NE2-OH 3.1Å; H29-L233 HydrophobicContact CB-CD2 4.45Å; H29-L233 VanDerWaalsContact CD2-CD2 3.49Å; H29-L233 WeakPolarHBondContact CD2-CD2 3.47Å |
| 30 | P | 95.9 | Very high | 93.9 | Very high | 7 Ų | 7 | 26.8 Ų | 26.8 | 5% | 0.045 | 13% | 0.129 | C | C | . | . | cis | -70.6 | 166.6 | -19.1 | 33.9 | -34.8 | 0 | 0 | 0 | 110.4 | F28 G32 E149 | F28-P30 WeakPolarHBondContact CD1-O 3.27Å; F28-P30 WeakPolarHBondContact CE1-O 3.36Å; P30-G32 VanDerWaalsContact C-N 3.3Å; P30-G32 PolarHBondContact O-N 3.44Å; P30-E149 HydrophobicContact CG-CB 3.99Å; P30-E149 HydrophobicContact CG-CG 4.36Å | ||
| 31 | H | 92.1 | Very high | 93.7 | Very high | 31 Ų | 31 | 24.1 Ų | 24.1 | 14% | 0.144 | 11% | 0.111 | C | C | . | . | trans | -62.8 | -37.2 | 174.1 | -176.1 | -71.8 | 0 | 0 | 0 | 111.8 | V35 A105 G108 E111 | H31-V35 WeakPolarHBondContact CE1-CG2 3.37Å; H31-V35 VanDerWaalsContact O-CA 3.25Å; H31-V35 WeakPolarHBondContact O-CA 3.5Å; H31-V35 WeakPolarHBondContact O-CB 3.46Å; H31-V35 WeakPolarHBondContact O-CG1 3.38Å; H31-V35 WeakPolarHBondContact O-CG2 3.08Å; H31-V35 PolarHBondContact O-N 2.98Å; H31-A105 HydrophobicContact CB-CB 4.14Å; H31-A105 WeakPolarHBondContact CD2-CB 3.47Å; H31-G108 WeakPolarHBondContact CD2-CA 3.19Å; H31-G108 PolarHBondContact CD2-O 3.19Å; H31-E111 WeakPolarHBondContact CA-OE2 3.42Å; H31-E111 HydrophobicContact CB-CB 4.17Å; H31-E111 HydrophobicContact CB-CG 4.17Å; H31-E111 WeakPolarHBondContact CB-OE2 3.21Å; H31-E111 PolarHBondContact N-OE2 3.36Å | ||
| 32 | G | 87.7 | Confident | 93.6 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.7 | -173.3 | -171.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | P30 A112 N150 | P30-G32 VanDerWaalsContact C-N 3.3Å; P30-G32 PolarHBondContact O-N 3.44Å; G32-A112 WeakPolarHBondContact O-CA 3.07Å; G32-A112 WeakPolarHBondContact O-CB 3.39Å; G32-N150 WeakPolarHBondContact CA-OD1 3.45Å |
| 33 | V | 84.8 | Confident | 93.3 | Very high | 11 Ų | 11 | 12.8 Ų | 12.8 | 7% | 0.067 | 7% | 0.068 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -50.4 | -177.2 | -179.7 | 0 | 0 | 0 | 0 | 111.9 | A115 Y153 P180 F182 | V33-A115 HydrophobicContact CG2-CB 3.8Å; V33-Y153 HydrophobicContact CB-CD2 3.91Å; V33-Y153 HydrophobicContact CB-CG 4.33Å; V33-Y153 HydrophobicContact CG1-CD2 4.48Å; V33-Y153 HydrophobicContact CG2-CD2 4.37Å; V33-Y153 HydrophobicContact CG2-CG 4.49Å; V33-P180 HydrophobicContact CG1-CB 4.42Å; V33-P180 HydrophobicContact CG1-CG 3.82Å; V33-F182 HydrophobicContact CG1-CB 4.22Å; V33-F182 HydrophobicContact CG1-CD1 3.24Å; V33-F182 HydrophobicContact CG1-CD2 3.98Å; V33-F182 HydrophobicContact CG1-CE1 3.41Å; V33-F182 VanDerWaalsContact CG1-CE1 3.41Å; V33-F182 HydrophobicContact CG1-CE2 4.12Å; V33-F182 HydrophobicContact CG1-CG 3.55Å; V33-F182 HydrophobicContact CG1-CZ 3.85Å |
| 34 | L | 84 | Confident | 92.8 | Very high | 95 Ų | 95 | 12.5 Ų | 12.5 | 50% | 0.497 | 7% | 0.066 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -124.2 | 10.4 | -176.1 | -65.9 | -175.7 | 0 | 0 | 0 | 113.7 | A36 Y153 F182 | L34-A36 PolarHBondContact O-N 3.33Å; L34-Y153 HydrophobicContact CB-CE2 4.11Å; L34-Y153 HydrophobicContact CD1-CE1 4.42Å; L34-Y153 HydrophobicContact CD1-CE2 4.27Å; L34-Y153 HydrophobicContact CG-CE2 4.3Å; L34-F182 HydrophobicContact CD1-CE2 4.23Å; L34-F182 HydrophobicContact CD1-CZ 3.93Å; L34-F182 HydrophobicContact CD2-CZ 4.28Å; L34-F182 HydrophobicContact CG-CZ 4.11Å |
| 35 | V | 88.1 | Confident | 92.1 | Very high | 19 Ų | 19 | 14.9 Ų | 14.9 | 12% | 0.115 | 8% | 0.079 | C | C | . | . | trans | 51 | 42.6 | -178.7 | -143.1 | 0 | 0 | 0 | 0 | 112.7 | F28 H31 G37 A38 F39 A105 E149 | F28-V35 HydrophobicContact CD1-CG1 3.66Å; F28-V35 HydrophobicContact CE1-CG1 3.44Å; F28-V35 VanDerWaalsContact CE1-CG1 3.44Å; F28-V35 HydrophobicContact CZ-CG1 4.31Å; H31-V35 WeakPolarHBondContact CE1-CG2 3.37Å; H31-V35 VanDerWaalsContact O-CA 3.25Å; H31-V35 WeakPolarHBondContact O-CA 3.5Å; H31-V35 WeakPolarHBondContact O-CB 3.46Å; H31-V35 WeakPolarHBondContact O-CG1 3.38Å; H31-V35 WeakPolarHBondContact O-CG2 3.08Å; H31-V35 PolarHBondContact O-N 2.98Å; V35-G37 VanDerWaalsContact C-N 3.27Å; V35-G37 PolarHBondContact O-N 2.61Å; V35-A38 HydrophobicContact CB-CB 4.25Å; V35-A38 HydrophobicContact CG1-CB 3.34Å; V35-A38 PolarHBondContact O-N 2.75Å; V35-A38 VanDerWaalsContact O-N 3.16Å; V35-F39 PolarHBondContact O-N 3.1Å; V35-A105 HydrophobicContact CG1-CB 3.94Å; V35-A105 HydrophobicContact CG2-CB 4.34Å; V35-E149 WeakPolarHBondContact CA-OE1 3.44Å | ||
| 36 | A | 89.2 | Confident | 91.5 | Very high | 9 Ų | 9 | 16.5 Ų | 16.5 | 7% | 0.074 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -59.5 | -38.1 | -171.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | F8 L34 T40 E149 V152 I201 | F8-A36 HydrophobicContact CE2-CB 4.2Å; F8-A36 HydrophobicContact CZ-CB 4Å; L34-A36 PolarHBondContact O-N 3.33Å; A36-T40 VanDerWaalsContact O-CB 3.31Å; A36-T40 WeakPolarHBondContact O-CB 3.47Å; A36-T40 PolarHBondContact O-N 3.47Å; A36-T40 PolarHBondContact O-OG1 3.46Å; A36-E149 PolarHBondContact N-OE1 2.8Å; A36-V152 HydrophobicContact CB-CG2 4.36Å; A36-I201 HydrophobicContact CB-CD1 4.35Å |
| 37 | G | 90.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -65.5 | -47 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | V35 F39 T40 N41 E149 | V35-G37 VanDerWaalsContact C-N 3.27Å; V35-G37 PolarHBondContact O-N 2.61Å; G37-F39 PolarHBondContact O-N 2.92Å; G37-T40 PolarHBondContact O-N 2.97Å; G37-N41 VanDerWaalsContact O-CB 3.31Å; G37-N41 WeakPolarHBondContact O-CB 3.47Å; G37-N41 VanDerWaalsContact O-CG 3.25Å; G37-N41 PolarHBondContact O-N 3.46Å; G37-N41 PolarHBondContact O-ND2 3.23Å; G37-E149 VanDerWaalsContact CA-OE2 3.23Å; G37-E149 WeakPolarHBondContact CA-OE2 3.41Å; G37-E149 PolarHBondContact N-OE1 2.85Å; G37-E149 PolarHBondContact N-OE2 3.21Å |
| 38 | A | 93.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -62.6 | -45.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | F28 V35 T40 N41 F42 L60 | F28-A38 HydrophobicContact CD1-CB 3.92Å; F28-A38 HydrophobicContact CD2-CB 3.84Å; F28-A38 HydrophobicContact CE1-CB 3.83Å; F28-A38 HydrophobicContact CE2-CB 3.74Å; F28-A38 HydrophobicContact CG-CB 3.92Å; F28-A38 HydrophobicContact CZ-CB 3.73Å; V35-A38 HydrophobicContact CB-CB 4.25Å; V35-A38 HydrophobicContact CG1-CB 3.34Å; V35-A38 PolarHBondContact O-N 2.75Å; V35-A38 VanDerWaalsContact O-N 3.16Å; A38-T40 VanDerWaalsContact C-N 3.33Å; A38-T40 PolarHBondContact O-N 3.36Å; A38-N41 PolarHBondContact O-N 3.24Å; A38-F42 HydrophobicContact CB-CD2 4.06Å; A38-F42 HydrophobicContact CB-CE2 4.44Å; A38-F42 WeakPolarHBondContact O-CB 3.4Å; A38-F42 WeakPolarHBondContact O-CD2 3.43Å; A38-F42 PolarHBondContact O-N 3.07Å; A38-L60 HydrophobicContact CB-CD1 4.07Å; A38-L60 HydrophobicContact CB-CD2 4.09Å |
| 39 | F | 92.2 | Very high | 90.8 | Very high | 58 Ų | 58 | 18.4 Ų | 18.4 | 25% | 0.254 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -60.5 | -46 | 177.8 | -180 | -107.1 | 0 | 0 | 0 | 111.1 | M1 I4 V35 G37 N41 C43 T44 L60 A79 L81 | M1-F39 HydrophobicContact CE-CZ 4.49Å; I4-F39 HydrophobicContact CD1-CE1 3.82Å; V35-F39 PolarHBondContact O-N 3.1Å; G37-F39 PolarHBondContact O-N 2.92Å; F39-N41 PolarHBondContact O-N 3.34Å; F39-C43 HydrophobicContact CD2-CB 3.63Å; F39-C43 HydrophobicContact CE2-CB 3.68Å; F39-C43 HydrophobicContact CG-CB 4.38Å; F39-C43 HydrophobicContact CZ-CB 4.48Å; F39-C43 WeakPolarHBondContact O-CA 3.31Å; F39-C43 WeakPolarHBondContact O-CB 3.37Å; F39-C43 PolarHBondContact O-N 3.46Å; F39-T44 HydrophobicContact CD1-CG2 4.06Å; F39-T44 HydrophobicContact CE1-CG2 3.76Å; F39-T44 HydrophobicContact CZ-CG2 4.11Å; F39-L60 HydrophobicContact CB-CD2 4.29Å; F39-A79 HydrophobicContact CE2-CB 4.49Å; F39-L81 HydrophobicContact CD2-CD1 4.08Å; F39-L81 HydrophobicContact CD2-CD2 4.5Å; F39-L81 HydrophobicContact CE2-CD1 3.71Å; F39-L81 HydrophobicContact CE2-CG 4.47Å |
| 40 | T | 91.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63.1 | -46.7 | -179.5 | -57.3 | 0 | 0 | 0 | 0 | 111.3 | I4 F8 A36 G37 A38 T44 A46 T47 | I4-T40 HydrophobicContact CG2-CG2 4.03Å; I4-T40 WeakPolarHBondContact CG2-OG1 3.46Å; F8-T40 VanDerWaalsContact CE2-OG1 3.31Å; F8-T40 WeakPolarHBondContact CE2-OG1 3.34Å; A36-T40 VanDerWaalsContact O-CB 3.31Å; A36-T40 WeakPolarHBondContact O-CB 3.47Å; A36-T40 PolarHBondContact O-N 3.47Å; A36-T40 PolarHBondContact O-OG1 3.46Å; G37-T40 PolarHBondContact O-N 2.97Å; A38-T40 VanDerWaalsContact C-N 3.33Å; A38-T40 PolarHBondContact O-N 3.36Å; T40-T44 PolarHBondContact O-OG1 3.37Å; T40-A46 HydrophobicContact CG2-CB 4.47Å; T40-T47 HydrophobicContact CG2-CG2 4.4Å |
| 41 | N | 93.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -73.4 | -40 | -175.8 | -69.1 | -40.1 | 0 | 0 | 0 | 113.8 | L12 G37 A38 F39 T47 F49 T203 | L12-N41 HydrophobicContact CD1-CB 4.05Å; L12-N41 HydrophobicContact CD2-CB 4.41Å; G37-N41 VanDerWaalsContact O-CB 3.31Å; G37-N41 WeakPolarHBondContact O-CB 3.47Å; G37-N41 VanDerWaalsContact O-CG 3.25Å; G37-N41 PolarHBondContact O-N 3.46Å; G37-N41 PolarHBondContact O-ND2 3.23Å; A38-N41 PolarHBondContact O-N 3.24Å; F39-N41 PolarHBondContact O-N 3.34Å; N41-T47 WeakPolarHBondContact CA-OG1 3.31Å; N41-T47 WeakPolarHBondContact OD1-CB 3.1Å; N41-T47 WeakPolarHBondContact OD1-CG2 3.33Å; N41-T47 PolarHBondContact OD1-OG1 3.44Å; N41-F49 WeakPolarHBondContact O-CB 3.22Å; N41-T203 WeakPolarHBondContact ND2-CB 3.36Å; N41-T203 PolarHBondContact ND2-OG1 2.72Å |
| 42 | F | 95.2 | Very high | 90.8 | Very high | 3 Ų | 3 | 30.7 Ų | 30.7 | 1% | 0.013 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -108.9 | -9.4 | -167.3 | -54.9 | -67 | 0 | 0 | 0 | 114.2 | L12 L26 F28 A38 F49 S58 V103 V144 T203 V205 | L12-F42 HydrophobicContact CD1-CE1 4.3Å; L12-F42 HydrophobicContact CD1-CZ 4.12Å; L12-F42 HydrophobicContact CD2-CE1 4.48Å; L26-F42 HydrophobicContact CD2-CD1 4.32Å; L26-F42 HydrophobicContact CD2-CE1 3.72Å; L26-F42 HydrophobicContact CD2-CZ 4.22Å; F28-F42 AromaticContact CD2-CE2 3.82Å; F28-F42 HydrophobicContact CD2-CE2 3.82Å; F28-F42 HydrophobicContact CE2-CE2 4.17Å; A38-F42 HydrophobicContact CB-CD2 4.06Å; A38-F42 HydrophobicContact CB-CE2 4.44Å; A38-F42 WeakPolarHBondContact O-CB 3.4Å; A38-F42 WeakPolarHBondContact O-CD2 3.43Å; A38-F42 PolarHBondContact O-N 3.07Å; F42-F49 AromaticContact CD1-CD2 3.61Å; F42-F49 HydrophobicContact CD1-CD2 3.61Å; F42-F49 AromaticContact CD1-CE2 3.7Å; F42-F49 HydrophobicContact CD1-CE2 3.7Å; F42-F49 HydrophobicContact CD1-CG 4.45Å; F42-F49 AromaticContact CE1-CD2 3.82Å; F42-F49 HydrophobicContact CE1-CD2 3.82Å; F42-F49 AromaticContact CE1-CE2 3.81Å; F42-F49 HydrophobicContact CE1-CE2 3.81Å; F42-S58 WeakPolarHBondContact O-CB 3.27Å; F42-S58 PolarHBondContact O-OG 2.8Å; F42-V103 HydrophobicContact CB-CG2 3.93Å; F42-V103 HydrophobicContact CD1-CG2 4Å; F42-V103 HydrophobicContact CD2-CB 4.45Å; F42-V103 HydrophobicContact CD2-CG1 3.71Å; F42-V103 HydrophobicContact CD2-CG2 4.13Å; F42-V103 HydrophobicContact CE2-CG1 4Å; F42-V103 HydrophobicContact CG-CB 4.49Å; F42-V103 HydrophobicContact CG-CG1 4.21Å; F42-V103 HydrophobicContact CG-CG2 3.75Å; F42-V144 HydrophobicContact CZ-CG1 4.15Å; F42-T203 HydrophobicContact CE2-CG2 4.46Å; F42-T203 HydrophobicContact CZ-CG2 4.36Å; F42-V205 HydrophobicContact CZ-CG2 4.46Å |
| 43 | C | 92.3 | Very high | 91.3 | Very high | 15 Ų | 15 | 30.8 Ų | 30.8 | 10% | 0.101 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -113.4 | -27.6 | 178.2 | -63.3 | 0 | 0 | 0 | 0 | 113.8 | M1 F39 L60 A79 | M1-C43 WeakPolarHBondContact CE-O 3.23Å; F39-C43 HydrophobicContact CD2-CB 3.63Å; F39-C43 HydrophobicContact CE2-CB 3.68Å; F39-C43 HydrophobicContact CG-CB 4.38Å; F39-C43 HydrophobicContact CZ-CB 4.48Å; F39-C43 WeakPolarHBondContact O-CA 3.31Å; F39-C43 WeakPolarHBondContact O-CB 3.37Å; F39-C43 PolarHBondContact O-N 3.46Å; C43-L60 VanDerWaalsContact SG-CB 3.57Å; C43-A79 WeakPolarHBondContact CA-O 3.45Å; C43-A79 HydrophobicContact CB-CB 4.39Å; C43-A79 WeakPolarHBondContact CB-O 3.23Å |
| 44 | T | 86.8 | Confident | 91.9 | Very high | 10 Ų | 10 | 34.2 Ų | 34.2 | 6% | 0.061 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -106 | -6.2 | -165.6 | 78.3 | 0 | 0 | 0 | 0 | 115.5 | M1 I4 F39 T40 A46 | M1-T44 VanDerWaalsContact CE-CA 3.5Å; M1-T44 HydrophobicContact CE-CG2 3.53Å; M1-T44 HydrophobicContact CG-CG2 3.89Å; M1-T44 HydrophobicContact SD-CG2 4.3Å; I4-T44 HydrophobicContact CD1-CG2 3.56Å; F39-T44 HydrophobicContact CD1-CG2 4.06Å; F39-T44 HydrophobicContact CE1-CG2 3.76Å; F39-T44 HydrophobicContact CZ-CG2 4.11Å; T40-T44 PolarHBondContact O-OG1 3.37Å; T44-A46 PolarHBondContact O-N 3.12Å; T44-A46 WeakPolarHBondContact OG1-CB 3.43Å; T44-A46 PolarHBondContact OG1-N 2.97Å |
| 45 | D | 85.4 | Confident | 92.5 | Very high | 55 Ų | 55 | 32.4 Ų | 32.4 | 29% | 0.294 | 19% | 0.193 | S | C | . | . | trans | 49.4 | 15.9 | -168.1 | -159.9 | 46.3 | 0 | 0 | 0 | 114 | T47 G48 F49 Q50 Q51 | D45-T47 VanDerWaalsContact C-N 3.26Å; D45-T47 PolarHBondContact O-N 3.21Å; D45-G48 PolarHBondContact O-N 2.65Å; D45-G48 VanDerWaalsContact O-N 3.14Å; D45-F49 PolarHBondContact OD1-N 3.42Å; D45-Q50 PolarHBondContact OD1-N 3.29Å; D45-Q51 PolarHBondContact OD2-NE2 2.81Å | ||
| 46 | A | 86.6 | Confident | 93 | Very high | 33 Ų | 33 | 31.8 Ų | 31.8 | 27% | 0.273 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -17 | -170.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | C5 T40 T44 | C5-A46 HydrophobicContact CB-CB 4.4Å; C5-A46 WeakPolarHBondContact SG-CB 3.46Å; C5-A46 PolarHBondContact SG-O 3.27Å; C5-A46 VanDerWaalsContact SG-O 3.41Å; T40-A46 HydrophobicContact CG2-CB 4.47Å; T44-A46 PolarHBondContact O-N 3.12Å; T44-A46 WeakPolarHBondContact OG1-CB 3.43Å; T44-A46 PolarHBondContact OG1-N 2.97Å |
| 47 | T | 90.9 | Very high | 93.4 | Very high | 24 Ų | 24 | 34.2 Ų | 34.2 | 15% | 0.147 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.3 | 9.5 | 171.7 | 57.8 | 0 | 0 | 0 | 0 | 113.2 | S10 T40 N41 D45 | S10-T47 WeakPolarHBondContact O-CG2 3.32Å; T40-T47 HydrophobicContact CG2-CG2 4.4Å; N41-T47 WeakPolarHBondContact CA-OG1 3.31Å; N41-T47 WeakPolarHBondContact OD1-CB 3.1Å; N41-T47 WeakPolarHBondContact OD1-CG2 3.33Å; N41-T47 PolarHBondContact OD1-OG1 3.44Å; D45-T47 VanDerWaalsContact C-N 3.26Å; D45-T47 PolarHBondContact O-N 3.21Å |
| 48 | G | 92.8 | Very high | 93.7 | Very high | 15 Ų | 15 | 35.1 Ų | 35.1 | 16% | 0.155 | 21% | 0.209 | C | C | . | . | trans | 76.9 | 40.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | D45 Q50 Q51 L52 | D45-G48 PolarHBondContact O-N 2.65Å; D45-G48 VanDerWaalsContact O-N 3.14Å; G48-Q50 VanDerWaalsContact C-N 3.29Å; G48-Q50 PolarHBondContact O-N 3.18Å; G48-Q51 PolarHBondContact O-N 2.95Å; G48-Q51 PolarHBondContact O-OE1 2.78Å; G48-Q51 VanDerWaalsContact O-OE1 3.05Å; G48-L52 WeakPolarHBondContact O-CG 3.32Å; G48-L52 PolarHBondContact O-N 3.02Å | ||
| 49 | F | 95.6 | Very high | 93.9 | Very high | 2 Ų | 2 | 38.3 Ų | 38.3 | 1% | 0.009 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -56.6 | -42.8 | 179.1 | 176.8 | -91.9 | 0 | 0 | 0 | 111.8 | L12 L26 N41 F42 D45 Q51 L52 F53 L56 A101 | L12-F49 HydrophobicContact CD2-CB 4.1Å; L12-F49 HydrophobicContact CD2-CD2 3.84Å; L12-F49 HydrophobicContact CD2-CG 4.48Å; L26-F49 HydrophobicContact CD2-CE2 4.39Å; N41-F49 WeakPolarHBondContact O-CB 3.22Å; F42-F49 AromaticContact CD1-CD2 3.61Å; F42-F49 HydrophobicContact CD1-CD2 3.61Å; F42-F49 AromaticContact CD1-CE2 3.7Å; F42-F49 HydrophobicContact CD1-CE2 3.7Å; F42-F49 HydrophobicContact CD1-CG 4.45Å; F42-F49 AromaticContact CE1-CD2 3.82Å; F42-F49 HydrophobicContact CE1-CD2 3.82Å; F42-F49 AromaticContact CE1-CE2 3.81Å; F42-F49 HydrophobicContact CE1-CE2 3.81Å; D45-F49 PolarHBondContact OD1-N 3.42Å; F49-Q51 VanDerWaalsContact C-N 3.28Å; F49-Q51 PolarHBondContact O-N 2.9Å; F49-L52 PolarHBondContact O-N 3.41Å; F49-F53 AromaticContact CD2-CD2 3.69Å; F49-F53 HydrophobicContact CD2-CD2 3.69Å; F49-F53 HydrophobicContact CD2-CE2 4.25Å; F49-F53 HydrophobicContact CE2-CB 4.45Å; F49-F53 AromaticContact CE2-CD2 3.55Å; F49-F53 HydrophobicContact CE2-CD2 3.55Å; F49-F53 HydrophobicContact CE2-CE2 4.17Å; F49-F53 HydrophobicContact CE2-CG 4.28Å; F49-F53 HydrophobicContact CG-CD2 4.41Å; F49-F53 HydrophobicContact CZ-CB 4.25Å; F49-F53 HydrophobicContact CZ-CD2 4.19Å; F49-F53 PolarHBondContact O-N 3.2Å; F49-L56 HydrophobicContact CE1-CB 4.1Å; F49-L56 HydrophobicContact CZ-CB 4.2Å; F49-A101 HydrophobicContact CZ-CB 4.22Å |
| 50 | Q | 94.1 | Very high | 94.2 | Very high | 118 Ų | 118 | 35.9 Ų | 35.9 | 55% | 0.551 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -67.3 | -29.9 | -178.3 | -67.7 | -172 | -1.5 | 0 | 0 | 112.9 | D45 G48 F53 P54 | D45-Q50 PolarHBondContact OD1-N 3.29Å; G48-Q50 VanDerWaalsContact C-N 3.29Å; G48-Q50 PolarHBondContact O-N 3.18Å; Q50-F53 CarbonylContact O-C 3.58Å; Q50-P54 WeakPolarHBondContact O-CA 3.47Å |
| 51 | Q | 96.1 | Very high | 94.4 | Very high | 128 Ų | 128 | 37.1 Ų | 37.1 | 60% | 0.598 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -79.1 | -37.4 | 177.4 | -59.1 | 77.3 | 8.8 | 0 | 0 | 110.7 | D45 G48 F49 | D45-Q51 PolarHBondContact OD2-NE2 2.81Å; G48-Q51 PolarHBondContact O-N 2.95Å; G48-Q51 PolarHBondContact O-OE1 2.78Å; G48-Q51 VanDerWaalsContact O-OE1 3.05Å; F49-Q51 VanDerWaalsContact C-N 3.28Å; F49-Q51 PolarHBondContact O-N 2.9Å |
| 52 | L | 97.2 | Very high | 94.3 | Very high | 50 Ų | 50 | 39.3 Ų | 39.3 | 26% | 0.262 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -71.2 | -37.6 | 176.6 | -70.8 | 171 | 0 | 0 | 0 | 112.2 | L12 K14 G48 F49 P54 | L12-L52 HydrophobicContact CB-CD1 3.99Å; L12-L52 HydrophobicContact CD2-CD1 3.92Å; L12-L52 HydrophobicContact CG-CD1 3.98Å; K14-L52 HydrophobicContact CB-CD2 4.18Å; K14-L52 HydrophobicContact CD-CB 4.33Å; K14-L52 HydrophobicContact CD-CD2 4.39Å; K14-L52 WeakPolarHBondContact CD-O 3.35Å; K14-L52 WeakPolarHBondContact CE-O 3.33Å; K14-L52 PolarHBondContact NZ-O 3.37Å; G48-L52 WeakPolarHBondContact O-CG 3.32Å; G48-L52 PolarHBondContact O-N 3.02Å; F49-L52 PolarHBondContact O-N 3.41Å; L52-P54 WeakPolarHBondContact O-CD 3.32Å |
| 53 | F | 97.7 | Very high | 94 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 0% | 0.004 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -126.8 | 70.1 | -177.6 | -56.7 | -73.8 | 0 | 0 | 0 | 111.3 | L12 K14 L18 F49 Q50 G55 L56 V205 | L12-F53 HydrophobicContact CD2-CE2 4.36Å; K14-F53 HydrophobicContact CB-CE1 4.41Å; K14-F53 HydrophobicContact CB-CZ 3.89Å; K14-F53 HydrophobicContact CD-CD1 4.29Å; K14-F53 HydrophobicContact CD-CE1 3.75Å; K14-F53 HydrophobicContact CD-CZ 4Å; K14-F53 HydrophobicContact CG-CE1 3.7Å; K14-F53 HydrophobicContact CG-CZ 3.68Å; L18-F53 HydrophobicContact CB-CD1 3.94Å; L18-F53 HydrophobicContact CB-CE1 4.41Å; L18-F53 HydrophobicContact CD1-CD1 3.67Å; L18-F53 HydrophobicContact CD1-CE1 3.71Å; L18-F53 HydrophobicContact CD1-CG 4.34Å; L18-F53 HydrophobicContact CD1-CZ 4.41Å; L18-F53 HydrophobicContact CG-CD1 3.68Å; L18-F53 HydrophobicContact CG-CE1 3.67Å; F49-F53 AromaticContact CD2-CD2 3.69Å; F49-F53 HydrophobicContact CD2-CD2 3.69Å; F49-F53 HydrophobicContact CD2-CE2 4.25Å; F49-F53 HydrophobicContact CE2-CB 4.45Å; F49-F53 AromaticContact CE2-CD2 3.55Å; F49-F53 HydrophobicContact CE2-CD2 3.55Å; F49-F53 HydrophobicContact CE2-CE2 4.17Å; F49-F53 HydrophobicContact CE2-CG 4.28Å; F49-F53 HydrophobicContact CG-CD2 4.41Å; F49-F53 HydrophobicContact CZ-CB 4.25Å; F49-F53 HydrophobicContact CZ-CD2 4.19Å; F49-F53 PolarHBondContact O-N 3.2Å; Q50-F53 CarbonylContact O-C 3.58Å; F53-G55 PolarHBondContact O-N 3.12Å; F53-L56 HydrophobicContact CB-CB 4.24Å; F53-L56 HydrophobicContact CB-CD1 3.91Å; F53-L56 HydrophobicContact CB-CG 4.15Å; F53-L56 HydrophobicContact CG-CD1 4.48Å; F53-L56 PolarHBondContact O-N 2.69Å; F53-L56 VanDerWaalsContact O-N 3.16Å; F53-V205 HydrophobicContact CE1-CG1 4.43Å; F53-V205 HydrophobicContact CE2-CB 4.45Å; F53-V205 HydrophobicContact CE2-CG1 4.37Å; F53-V205 HydrophobicContact CE2-CG2 4.19Å; F53-V205 HydrophobicContact CZ-CB 3.95Å; F53-V205 HydrophobicContact CZ-CG1 3.74Å; F53-V205 HydrophobicContact CZ-CG2 4.19Å |
| 54 | P | 97.3 | Very high | 93.9 | Very high | 84 Ų | 84 | 43 Ų | 43 | 55% | 0.545 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | 133.8 | -175.4 | 26 | -34.7 | 0 | 0 | 0 | 111.6 | Q50 L52 L56 | Q50-P54 WeakPolarHBondContact O-CA 3.47Å; L52-P54 WeakPolarHBondContact O-CD 3.32Å; P54-L56 VanDerWaalsContact C-N 3.32Å |
| 55 | G | 96.9 | Very high | 93.9 | Very high | 57 Ų | 57 | 46.7 Ų | 46.7 | 59% | 0.588 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.7 | -4.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | F53 | F53-G55 PolarHBondContact O-N 3.12Š|
| 56 | L | 97.9 | Very high | 93.8 | Very high | 6 Ų | 6 | 50.1 Ų | 50.1 | 3% | 0.031 | 28% | 0.277 | C | S | . | . | trans | -91.2 | 140.5 | 169.7 | -60.7 | -166.2 | 0 | 0 | 0 | 111.7 | L18 P20 Y24 F49 F53 P54 G99 A101 | L18-L56 HydrophobicContact CB-CD1 3.73Å; L18-L56 HydrophobicContact CD1-CD1 3.74Å; L18-L56 HydrophobicContact CG-CD1 4.39Å; P20-L56 HydrophobicContact CB-CD2 4.23Å; Y24-L56 HydrophobicContact CD2-CD1 4.03Å; Y24-L56 HydrophobicContact CD2-CD2 4.12Å; Y24-L56 HydrophobicContact CE2-CD1 4.23Å; Y24-L56 HydrophobicContact CE2-CD2 4.06Å; F49-L56 HydrophobicContact CE1-CB 4.1Å; F49-L56 HydrophobicContact CZ-CB 4.2Å; F53-L56 HydrophobicContact CB-CB 4.24Å; F53-L56 HydrophobicContact CB-CD1 3.91Å; F53-L56 HydrophobicContact CB-CG 4.15Å; F53-L56 HydrophobicContact CG-CD1 4.48Å; F53-L56 PolarHBondContact O-N 2.69Å; F53-L56 VanDerWaalsContact O-N 3.16Å; P54-L56 VanDerWaalsContact C-N 3.32Å; L56-G99 CarbonylContact C-O 3.56Å; L56-G99 WeakPolarHBondContact CA-O 3.26Å; L56-A101 HydrophobicContact CD1-CB 4.39Å | ||
| 57 | T | 97.4 | Very high | 94 | Very high | 60 Ų | 60 | 49.6 Ų | 49.6 | 37% | 0.368 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 121.3 | 167.2 | -52.8 | 0 | 0 | 0 | 0 | 108.7 | Y59 G99 A101 | T57-Y59 HydrophobicContact CG2-CE1 4.16Å; T57-Y59 HydrophobicContact CG2-CE2 3.82Å; T57-Y59 WeakPolarHBondContact CG2-OH 3.3Å; T57-G99 PolarHBondContact N-O 2.86Å; T57-A101 PolarHBondContact O-N 2.86Å |
| 58 | S | 97.5 | Very high | 93.9 | Very high | 18 Ų | 18 | 58.1 Ų | 58.1 | 13% | 0.126 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 140.3 | 178.1 | 45.3 | 0 | 0 | 0 | 0 | 112 | F42 A101 | F42-S58 WeakPolarHBondContact O-CB 3.27Å; F42-S58 PolarHBondContact O-OG 2.8Å; S58-A101 CarbonylContact C-O 3.52Å; S58-A101 VanDerWaalsContact CA-O 3.27Å; S58-A101 WeakPolarHBondContact CA-O 3.39Å |
| 59 | Y | 97.8 | Very high | 93.7 | Very high | 67 Ų | 67 | 59.7 Ų | 59.7 | 26% | 0.263 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 108.2 | 174.5 | -59.8 | -81.1 | 0 | 0 | 0 | 109.8 | T57 G80 I82 P92 A101 V102 V103 | T57-Y59 HydrophobicContact CG2-CE1 4.16Å; T57-Y59 HydrophobicContact CG2-CE2 3.82Å; T57-Y59 WeakPolarHBondContact CG2-OH 3.3Å; Y59-G80 CarbonylContact C-O 3.54Å; Y59-G80 VanDerWaalsContact CA-O 3.26Å; Y59-G80 WeakPolarHBondContact CA-O 3.34Å; Y59-I82 HydrophobicContact CD1-CG2 4.08Å; Y59-P92 HydrophobicContact CD2-CB 3.85Å; Y59-P92 HydrophobicContact CD2-CG 4.05Å; Y59-P92 HydrophobicContact CE2-CB 3.97Å; Y59-P92 HydrophobicContact CE2-CG 4.39Å; Y59-P92 HydrophobicContact CG-CG 4.22Å; Y59-A101 PolarHBondContact N-O 3.13Å; Y59-V102 CarbonylContact O-C 3.48Å; Y59-V102 WeakPolarHBondContact O-CA 3.15Å; Y59-V103 PolarHBondContact O-N 3.07Å |
| 60 | L | 97.6 | Very high | 93 | Very high | 8 Ų | 8 | 63.6 Ų | 63.6 | 4% | 0.042 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 127.4 | -179 | 179.7 | 59.6 | 0 | 0 | 0 | 110.7 | A38 F39 C43 G80 L81 I82 V103 | A38-L60 HydrophobicContact CB-CD1 4.07Å; A38-L60 HydrophobicContact CB-CD2 4.09Å; F39-L60 HydrophobicContact CB-CD2 4.29Å; C43-L60 VanDerWaalsContact SG-CB 3.57Å; L60-G80 PolarHBondContact N-O 2.94Å; L60-L81 HydrophobicContact CB-CD2 3.93Å; L60-L81 HydrophobicContact CD2-CD2 3.88Å; L60-L81 HydrophobicContact CG-CD2 3.88Å; L60-L81 WeakPolarHBondContact O-CA 3.44Å; L60-I82 PolarHBondContact O-N 2.6Å; L60-V103 HydrophobicContact CD1-CB 3.82Å; L60-V103 HydrophobicContact CD1-CG1 3.74Å |
| 61 | L | 96.3 | Very high | 92.7 | Very high | 25 Ų | 25 | 66.7 Ų | 66.7 | 13% | 0.131 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 132.2 | 176.4 | -61.1 | -164.9 | 0 | 0 | 0 | 111.1 | I82 A89 V102 V103 I104 | L61-I82 CarbonylContact C-O 3.59Å; L61-I82 WeakPolarHBondContact CA-O 3.31Å; L61-I82 HydrophobicContact CD2-CD1 3.55Å; L61-I82 HydrophobicContact CD2-CG1 3.46Å; L61-I82 VanDerWaalsContact CD2-CG1 3.46Å; L61-A89 HydrophobicContact CD1-CB 3.83Å; L61-A89 HydrophobicContact CD2-CB 3.96Å; L61-V102 HydrophobicContact CD1-CG1 4.35Å; L61-V102 HydrophobicContact CD2-CG1 3.86Å; L61-V102 HydrophobicContact CG-CG1 4.03Å; L61-V103 PolarHBondContact N-O 2.74Å; L61-I104 HydrophobicContact CD1-CB 4.35Å; L61-I104 HydrophobicContact CD1-CD1 3.74Å; L61-I104 HydrophobicContact CD1-CG1 3.57Å; L61-I104 HydrophobicContact CD1-CG2 4.21Å; L61-I104 HydrophobicContact CG-CG1 4Å |
| 62 | M | 91.6 | Very high | 92.1 | Very high | 47 Ų | 47 | 64.3 Ų | 64.3 | 23% | 0.232 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 150.5 | 176.3 | -174.3 | -173.1 | -156.9 | 0 | 0 | 110.5 | W66 F67 I76 L81 I82 P83 S84 | M62-W66 HydrophobicContact CE-CB 4.04Å; M62-W66 VanDerWaalsContact CE-CD1 3.43Å; M62-W66 HydrophobicContact CE-CD2 3.96Å; M62-W66 HydrophobicContact CE-CG 3.54Å; M62-W66 HydrophobicContact CG-CG 4.49Å; M62-W66 HydrophobicContact SD-CB 3.9Å; M62-W66 HydrophobicContact SD-CG 4.03Å; M62-F67 HydrophobicContact CB-CE2 3.96Å; M62-F67 HydrophobicContact CB-CZ 4.31Å; M62-F67 HydrophobicContact CG-CE2 4.39Å; M62-F67 HydrophobicContact SD-CE2 4.47Å; M62-I76 HydrophobicContact SD-CD1 3.96Å; M62-L81 HydrophobicContact CB-CD2 3.87Å; M62-L81 HydrophobicContact CG-CD2 4.48Å; M62-L81 HydrophobicContact SD-CD1 4.19Å; M62-L81 HydrophobicContact SD-CD2 4.23Å; M62-I82 PolarHBondContact N-O 3.48Å; M62-P83 CarbonylContact O-C 3.58Å; M62-P83 WeakPolarHBondContact O-CA 3.34Å; M62-S84 PolarHBondContact O-N 3.38Å |
| 63 | L | 89.3 | Confident | 91.8 | Very high | 46 Ų | 46 | 66.7 Ų | 66.7 | 24% | 0.241 | 34% | 0.341 | C | S | . | . | trans | -50.3 | 128.2 | 178.6 | 179 | 77.1 | 0 | 0 | 0 | 111.7 | L65 W66 V177 | L63-L65 HydrophobicContact CD2-CB 3.76Å; L63-L65 HydrophobicContact CD2-CD2 4.27Å; L63-L65 HydrophobicContact CG-CB 4.03Å; L63-L65 PolarHBondContact O-N 2.91Å; L63-W66 PolarHBondContact O-N 3.09Å; L63-V177 HydrophobicContact CD1-CG2 4.38Å; L63-V177 HydrophobicContact CD2-CB 4.19Å; L63-V177 HydrophobicContact CD2-CG1 3.99Å; L63-V177 HydrophobicContact CD2-CG2 3.33Å; L63-V177 HydrophobicContact CG-CG2 4.45Å | ||
| 64 | P | 89.6 | Confident | 91.4 | Very high | 49 Ų | 49 | 70.3 Ų | 70.3 | 32% | 0.318 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | -57.9 | -23.9 | -175.5 | -28.5 | 35.8 | 0 | 0 | 0 | 115.3 | W66 F67 P83 | P64-W66 PolarHBondContact O-N 3.1Å; P64-F67 PolarHBondContact O-N 3.48Å; P64-P83 HydrophobicContact CB-CB 4.35Å; P64-P83 HydrophobicContact CG-CB 4.21Å |
| 65 | L | 86.4 | Confident | 90.9 | Very high | 87 Ų | 87 | 73.9 Ų | 73.9 | 46% | 0.455 | 36% | 0.364 | S | S | . | . | G | 310 helix | trans | -53.6 | -39 | 178.4 | -178.8 | 61.9 | 0 | 0 | 0 | 112.2 | L63 F67 R68 V177 | L63-L65 HydrophobicContact CD2-CB 3.76Å; L63-L65 HydrophobicContact CD2-CD2 4.27Å; L63-L65 HydrophobicContact CG-CB 4.03Å; L63-L65 PolarHBondContact O-N 2.91Å; L65-F67 PolarHBondContact O-N 2.88Å; L65-R68 WeakPolarHBondContact O-CB 3.19Å; L65-R68 PolarHBondContact O-N 3.42Å; L65-V177 HydrophobicContact CD2-CG2 4.17Å |
| 66 | W | 83.9 | Confident | 90.5 | Very high | 128 Ų | 128 | 71.5 Ų | 71.5 | 49% | 0.485 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -66.5 | -22.3 | -179.3 | -70.4 | 110.1 | 0 | 0 | 0 | 113.5 | M62 L63 P64 R68 F72 I76 | M62-W66 HydrophobicContact CE-CB 4.04Å; M62-W66 VanDerWaalsContact CE-CD1 3.43Å; M62-W66 HydrophobicContact CE-CD2 3.96Å; M62-W66 HydrophobicContact CE-CG 3.54Å; M62-W66 HydrophobicContact CG-CG 4.49Å; M62-W66 HydrophobicContact SD-CB 3.9Å; M62-W66 HydrophobicContact SD-CG 4.03Å; L63-W66 PolarHBondContact O-N 3.09Å; P64-W66 PolarHBondContact O-N 3.1Å; W66-R68 VanDerWaalsContact C-N 3.29Å; W66-R68 PolarHBondContact O-N 2.64Å; W66-F72 HydrophobicContact CB-CE1 4.06Å; W66-F72 HydrophobicContact CD2-CE1 4.11Å; W66-F72 HydrophobicContact CE3-CD1 4.15Å; W66-F72 AromaticContact CE3-CE1 3.44Å; W66-F72 HydrophobicContact CE3-CE1 3.44Å; W66-F72 VanDerWaalsContact CE3-CE1 3.44Å; W66-F72 HydrophobicContact CE3-CZ 4.09Å; W66-F72 HydrophobicContact CG-CE1 4.4Å; W66-F72 HydrophobicContact CZ3-CE1 4.2Å; W66-F72 WeakPolarHBondContact O-CD1 3.21Å; W66-I76 HydrophobicContact CB-CD1 4.15Å |
| 67 | F | 89.5 | Confident | 90.2 | Very high | 21 Ų | 21 | 75 Ų | 75 | 9% | 0.092 | 36% | 0.355 | C | S | . | . | G | 310 helix | trans | -85.3 | 0.8 | 179.5 | -63 | -98.7 | 0 | 0 | 0 | 113 | M62 P64 L65 R73 I76 M77 L81 P83 | M62-F67 HydrophobicContact CB-CE2 3.96Å; M62-F67 HydrophobicContact CB-CZ 4.31Å; M62-F67 HydrophobicContact CG-CE2 4.39Å; M62-F67 HydrophobicContact SD-CE2 4.47Å; P64-F67 PolarHBondContact O-N 3.48Å; L65-F67 PolarHBondContact O-N 2.88Å; F67-R73 HydrophobicContact CB-CG 4.11Å; F67-R73 HydrophobicContact CD1-CG 4Å; F67-R73 VanDerWaalsContact O-CD 3.29Å; F67-R73 WeakPolarHBondContact O-CD 3.45Å; F67-I76 HydrophobicContact CD1-CD1 3.92Å; F67-I76 HydrophobicContact CD1-CG1 4.31Å; F67-I76 HydrophobicContact CD2-CD1 4.19Å; F67-I76 HydrophobicContact CE1-CD1 3.69Å; F67-I76 HydrophobicContact CE1-CG1 3.94Å; F67-I76 HydrophobicContact CE2-CD1 3.99Å; F67-I76 HydrophobicContact CG-CD1 4.15Å; F67-I76 HydrophobicContact CZ-CD1 3.71Å; F67-I76 HydrophobicContact CZ-CG1 4.3Å; F67-M77 HydrophobicContact CD1-CG 3.93Å; F67-M77 HydrophobicContact CD1-SD 4.19Å; F67-M77 HydrophobicContact CE1-CG 3.63Å; F67-M77 HydrophobicContact CE1-SD 4.41Å; F67-L81 HydrophobicContact CZ-CB 4.14Å; F67-P83 HydrophobicContact CB-CG 4.46Å; F67-P83 HydrophobicContact CD1-CG 3.94Å; F67-P83 HydrophobicContact CD2-CB 4.25Å; F67-P83 HydrophobicContact CD2-CG 3.87Å; F67-P83 HydrophobicContact CE1-CG 4.13Å; F67-P83 HydrophobicContact CE2-CB 4.3Å; F67-P83 HydrophobicContact CE2-CG 4.04Å; F67-P83 HydrophobicContact CG-CG 3.83Å; F67-P83 HydrophobicContact CZ-CG 4.19Å |
| 68 | R | 89.1 | Confident | 89.8 | Confident | 203 Ų | 203 | 77.8 Ų | 77.8 | 77% | 0.766 | 38% | 0.376 | S | S | * | . | G | 310 helix | trans | -79.9 | -19.6 | 177.9 | -65 | -172.9 | 179.4 | 166.7 | -2.1 | 113.8 | L65 W66 | L65-R68 WeakPolarHBondContact O-CB 3.19Å; L65-R68 PolarHBondContact O-N 3.42Å; W66-R68 VanDerWaalsContact C-N 3.29Å; W66-R68 PolarHBondContact O-N 2.64Å |
| 69 | A | 88.3 | Confident | 89.4 | Confident | 49 Ų | 49 | 77.6 Ų | 77.6 | 41% | 0.405 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -91.7 | 112 | 179 | 0 | 0 | 0 | 0 | 0 | 110.3 | F71 F72 R73 | A69-F71 PolarHBondContact O-N 3.31Å; A69-F72 HydrophobicContact CB-CB 4.06Å; A69-F72 PolarHBondContact O-N 3.03Å; A69-R73 WeakPolarHBondContact O-CB 3.37Å; A69-R73 PolarHBondContact O-N 3Å |
| 70 | P | 80.7 | Confident | 89.1 | Confident | 84 Ų | 84 | 75.1 Ų | 75.1 | 55% | 0.545 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -59.8 | -45.3 | -162.2 | 19.1 | -31.6 | 0 | 0 | 0 | 115 | R73 D74 | P70-R73 WeakPolarHBondContact O-CB 3.29Å; P70-D74 PolarHBondContact O-N 2.87Å |
| 71 | F | 89.1 | Confident | 89 | Confident | 183 Ų | 183 | 75.2 Ų | 75.2 | 80% | 0.803 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -74 | -38 | 179.1 | -60.4 | -66.2 | 0 | 0 | 0 | 113.3 | A69 Y75 | A69-F71 PolarHBondContact O-N 3.31Å; F71-Y75 PolarHBondContact O-N 2.79Å |
| 72 | F | 83.9 | Confident | 89 | Confident | 78 Ų | 78 | 75.1 Ų | 75.1 | 34% | 0.342 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -67.8 | -40.8 | 177.3 | -177.7 | -109.6 | 0 | 0 | 0 | 110.9 | W66 A69 D74 Y75 I76 | W66-F72 HydrophobicContact CB-CE1 4.06Å; W66-F72 HydrophobicContact CD2-CE1 4.11Å; W66-F72 HydrophobicContact CE3-CD1 4.15Å; W66-F72 AromaticContact CE3-CE1 3.44Å; W66-F72 HydrophobicContact CE3-CE1 3.44Å; W66-F72 VanDerWaalsContact CE3-CE1 3.44Å; W66-F72 HydrophobicContact CE3-CZ 4.09Å; W66-F72 HydrophobicContact CG-CE1 4.4Å; W66-F72 HydrophobicContact CZ3-CE1 4.2Å; W66-F72 WeakPolarHBondContact O-CD1 3.21Å; A69-F72 HydrophobicContact CB-CB 4.06Å; A69-F72 PolarHBondContact O-N 3.03Å; F72-D74 PolarHBondContact O-N 3.44Å; F72-Y75 WeakPolarHBondContact O-CB 3.49Å; F72-Y75 PolarHBondContact O-N 2.83Å; F72-I76 HydrophobicContact CD1-CD1 4.26Å; F72-I76 HydrophobicContact CD1-CG2 4.27Å; F72-I76 HydrophobicContact CD2-CG2 4.28Å; F72-I76 HydrophobicContact CE1-CD1 4.03Å; F72-I76 HydrophobicContact CE1-CG2 3.78Å; F72-I76 HydrophobicContact CE2-CG2 3.79Å; F72-I76 HydrophobicContact CZ-CG2 3.52Å; F72-I76 WeakPolarHBondContact O-CG1 3.5Å; F72-I76 PolarHBondContact O-N 3.34Å |
| 73 | R | 89.9 | Confident | 89.2 | Confident | 99 Ų | 99 | 74 Ų | 74 | 37% | 0.374 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -52.1 | -53.8 | 174 | 175.4 | -164.4 | 174.5 | -100.6 | 2.2 | 111.2 | F67 A69 P70 Y75 I76 M77 | F67-R73 HydrophobicContact CB-CG 4.11Å; F67-R73 HydrophobicContact CD1-CG 4Å; F67-R73 VanDerWaalsContact O-CD 3.29Å; F67-R73 WeakPolarHBondContact O-CD 3.45Å; A69-R73 WeakPolarHBondContact O-CB 3.37Å; A69-R73 PolarHBondContact O-N 3Å; P70-R73 WeakPolarHBondContact O-CB 3.29Å; R73-Y75 VanDerWaalsContact C-N 3.31Å; R73-Y75 PolarHBondContact O-N 2.85Å; R73-I76 WeakPolarHBondContact O-CG1 3.36Å; R73-I76 PolarHBondContact O-N 3.43Å; R73-M77 HydrophobicContact CG-SD 3.84Å; R73-M77 WeakPolarHBondContact O-CB 3.26Å; R73-M77 VanDerWaalsContact O-CG 3.25Å; R73-M77 WeakPolarHBondContact O-CG 3.35Å; R73-M77 PolarHBondContact O-N 3.17Å |
| 74 | D | 89.3 | Confident | 89.4 | Confident | 77 Ų | 77 | 74.5 Ų | 74.5 | 41% | 0.412 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -66 | -38.3 | -176.5 | -64.4 | -22.3 | 0 | 0 | 0 | 110.9 | P70 F72 M77 C78 | P70-D74 PolarHBondContact O-N 2.87Å; F72-D74 PolarHBondContact O-N 3.44Å; D74-M77 PolarHBondContact O-N 3.21Å; D74-C78 PolarHBondContact O-N 2.93Å; D74-C78 PolarHBondContact O-SG 2.93Å |
| 75 | Y | 87.4 | Confident | 89.6 | Confident | 160 Ų | 160 | 75.1 Ų | 75.1 | 63% | 0.627 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -59.9 | -49 | 174.4 | 176.8 | -98.5 | 0 | 0 | 0 | 112.9 | F71 F72 R73 C78 A79 | F71-Y75 PolarHBondContact O-N 2.79Å; F72-Y75 WeakPolarHBondContact O-CB 3.49Å; F72-Y75 PolarHBondContact O-N 2.83Å; R73-Y75 VanDerWaalsContact C-N 3.31Å; R73-Y75 PolarHBondContact O-N 2.85Å; Y75-C78 PolarHBondContact O-N 2.93Å; Y75-A79 PolarHBondContact O-N 2.83Å |
| 76 | I | 88.4 | Confident | 90 | Very high | 7 Ų | 7 | 76 Ų | 76 | 4% | 0.036 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -69.4 | -34.6 | 179.7 | 64 | 175.8 | 0 | 0 | 0 | 112 | M62 W66 F67 F72 R73 A79 G80 L81 | M62-I76 HydrophobicContact SD-CD1 3.96Å; W66-I76 HydrophobicContact CB-CD1 4.15Å; F67-I76 HydrophobicContact CD1-CD1 3.92Å; F67-I76 HydrophobicContact CD1-CG1 4.31Å; F67-I76 HydrophobicContact CD2-CD1 4.19Å; F67-I76 HydrophobicContact CE1-CD1 3.69Å; F67-I76 HydrophobicContact CE1-CG1 3.94Å; F67-I76 HydrophobicContact CE2-CD1 3.99Å; F67-I76 HydrophobicContact CG-CD1 4.15Å; F67-I76 HydrophobicContact CZ-CD1 3.71Å; F67-I76 HydrophobicContact CZ-CG1 4.3Å; F72-I76 HydrophobicContact CD1-CD1 4.26Å; F72-I76 HydrophobicContact CD1-CG2 4.27Å; F72-I76 HydrophobicContact CD2-CG2 4.28Å; F72-I76 HydrophobicContact CE1-CD1 4.03Å; F72-I76 HydrophobicContact CE1-CG2 3.78Å; F72-I76 HydrophobicContact CE2-CG2 3.79Å; F72-I76 HydrophobicContact CZ-CG2 3.52Å; F72-I76 WeakPolarHBondContact O-CG1 3.5Å; F72-I76 PolarHBondContact O-N 3.34Å; R73-I76 WeakPolarHBondContact O-CG1 3.36Å; R73-I76 PolarHBondContact O-N 3.43Å; I76-A79 WeakPolarHBondContact O-CB 3.1Å; I76-A79 PolarHBondContact O-N 2.94Å; I76-A79 VanDerWaalsContact O-N 3.12Å; I76-G80 PolarHBondContact O-N 3.46Å; I76-L81 HydrophobicContact CB-CB 4.13Å; I76-L81 HydrophobicContact CB-CD1 3.61Å; I76-L81 HydrophobicContact CB-CG 4.5Å; I76-L81 HydrophobicContact CG2-CD1 4Å; I76-L81 WeakPolarHBondContact O-CB 3.09Å; I76-L81 PolarHBondContact O-N 3.41Å; I76-L81 VanDerWaalsContact O-N 3.08Å |
| 77 | M | 91.2 | Very high | 90.5 | Very high | 79 Ų | 79 | 74.7 Ų | 74.7 | 39% | 0.389 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -66.4 | -38.1 | 175.7 | -74.3 | -178.5 | 70.2 | 0 | 0 | 112.2 | F67 R73 D74 A79 G80 L81 | F67-M77 HydrophobicContact CD1-CG 3.93Å; F67-M77 HydrophobicContact CD1-SD 4.19Å; F67-M77 HydrophobicContact CE1-CG 3.63Å; F67-M77 HydrophobicContact CE1-SD 4.41Å; R73-M77 HydrophobicContact CG-SD 3.84Å; R73-M77 WeakPolarHBondContact O-CB 3.26Å; R73-M77 VanDerWaalsContact O-CG 3.25Å; R73-M77 WeakPolarHBondContact O-CG 3.35Å; R73-M77 PolarHBondContact O-N 3.17Å; D74-M77 PolarHBondContact O-N 3.21Å; M77-A79 PolarHBondContact O-N 3.18Å; M77-G80 PolarHBondContact O-N 3.04Å; M77-L81 WeakPolarHBondContact CA-O 3.12Å |
| 78 | C | 89.3 | Confident | 90.8 | Very high | 119 Ų | 119 | 75.2 Ų | 75.2 | 80% | 0.804 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -61.4 | -27.9 | 172.2 | -73.5 | 0 | 0 | 0 | 0 | 112.8 | D74 Y75 G80 | D74-C78 PolarHBondContact O-N 2.93Å; D74-C78 PolarHBondContact O-SG 2.93Å; Y75-C78 PolarHBondContact O-N 2.93Å; C78-G80 VanDerWaalsContact C-N 3.25Å; C78-G80 PolarHBondContact O-N 3.08Å |
| 79 | A | 88.9 | Confident | 91.1 | Very high | 13 Ų | 13 | 65.7 Ų | 65.7 | 11% | 0.107 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | 1.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | M1 F39 C43 Y75 I76 M77 | M1-A79 HydrophobicContact CE-CB 3.56Å; F39-A79 HydrophobicContact CE2-CB 4.49Å; C43-A79 WeakPolarHBondContact CA-O 3.45Å; C43-A79 HydrophobicContact CB-CB 4.39Å; C43-A79 WeakPolarHBondContact CB-O 3.23Å; Y75-A79 PolarHBondContact O-N 2.83Å; I76-A79 WeakPolarHBondContact O-CB 3.1Å; I76-A79 PolarHBondContact O-N 2.94Å; I76-A79 VanDerWaalsContact O-N 3.12Å; M77-A79 PolarHBondContact O-N 3.18Å |
| 80 | G | 92.2 | Very high | 91.6 | Very high | 15 Ų | 15 | 63.5 Ų | 63.5 | 16% | 0.155 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84.5 | 15.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y59 L60 I76 M77 C78 | Y59-G80 CarbonylContact C-O 3.54Å; Y59-G80 VanDerWaalsContact CA-O 3.26Å; Y59-G80 WeakPolarHBondContact CA-O 3.34Å; L60-G80 PolarHBondContact N-O 2.94Å; I76-G80 PolarHBondContact O-N 3.46Å; M77-G80 PolarHBondContact O-N 3.04Å; C78-G80 VanDerWaalsContact C-N 3.25Å; C78-G80 PolarHBondContact O-N 3.08Å |
| 81 | L | 95.4 | Very high | 92.4 | Very high | 10 Ų | 10 | 67.5 Ų | 67.5 | 5% | 0.052 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 136.3 | 170.1 | -69.3 | 153.9 | 0 | 0 | 0 | 110.3 | F39 L60 M62 F67 I76 M77 | F39-L81 HydrophobicContact CD2-CD1 4.08Å; F39-L81 HydrophobicContact CD2-CD2 4.5Å; F39-L81 HydrophobicContact CE2-CD1 3.71Å; F39-L81 HydrophobicContact CE2-CG 4.47Å; L60-L81 HydrophobicContact CB-CD2 3.93Å; L60-L81 HydrophobicContact CD2-CD2 3.88Å; L60-L81 HydrophobicContact CG-CD2 3.88Å; L60-L81 WeakPolarHBondContact O-CA 3.44Å; M62-L81 HydrophobicContact CB-CD2 3.87Å; M62-L81 HydrophobicContact CG-CD2 4.48Å; M62-L81 HydrophobicContact SD-CD1 4.19Å; M62-L81 HydrophobicContact SD-CD2 4.23Å; F67-L81 HydrophobicContact CZ-CB 4.14Å; I76-L81 HydrophobicContact CB-CB 4.13Å; I76-L81 HydrophobicContact CB-CD1 3.61Å; I76-L81 HydrophobicContact CB-CG 4.5Å; I76-L81 HydrophobicContact CG2-CD1 4Å; I76-L81 WeakPolarHBondContact O-CB 3.09Å; I76-L81 PolarHBondContact O-N 3.41Å; I76-L81 VanDerWaalsContact O-N 3.08Å; M77-L81 WeakPolarHBondContact CA-O 3.12Å |
| 82 | I | 96.3 | Very high | 92.8 | Very high | 23 Ų | 23 | 59.4 Ų | 59.4 | 12% | 0.118 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 155.4 | 174.4 | 61.9 | 171 | 0 | 0 | 0 | 110.7 | Y59 L60 L61 M62 P92 | Y59-I82 HydrophobicContact CD1-CG2 4.08Å; L60-I82 PolarHBondContact O-N 2.6Å; L61-I82 CarbonylContact C-O 3.59Å; L61-I82 WeakPolarHBondContact CA-O 3.31Å; L61-I82 HydrophobicContact CD2-CD1 3.55Å; L61-I82 HydrophobicContact CD2-CG1 3.46Å; L61-I82 VanDerWaalsContact CD2-CG1 3.46Å; M62-I82 PolarHBondContact N-O 3.48Å; I82-P92 HydrophobicContact CD1-CG 4.02Å |
| 83 | P | 95.2 | Very high | 93.4 | Very high | 23 Ų | 23 | 55.9 Ų | 55.9 | 15% | 0.149 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.9 | 143.6 | 177.6 | -22.9 | 33.4 | 0 | 0 | 0 | 112 | M62 P64 F67 D85 S88 | M62-P83 CarbonylContact O-C 3.58Å; M62-P83 WeakPolarHBondContact O-CA 3.34Å; P64-P83 HydrophobicContact CB-CB 4.35Å; P64-P83 HydrophobicContact CG-CB 4.21Å; F67-P83 HydrophobicContact CB-CG 4.46Å; F67-P83 HydrophobicContact CD1-CG 3.94Å; F67-P83 HydrophobicContact CD2-CB 4.25Å; F67-P83 HydrophobicContact CD2-CG 3.87Å; F67-P83 HydrophobicContact CE1-CG 4.13Å; F67-P83 HydrophobicContact CE2-CB 4.3Å; F67-P83 HydrophobicContact CE2-CG 4.04Å; F67-P83 HydrophobicContact CG-CG 3.83Å; F67-P83 HydrophobicContact CZ-CG 4.19Å; P83-D85 VanDerWaalsContact CB-OD2 3.3Å; P83-D85 WeakPolarHBondContact CB-OD2 3.46Å; P83-D85 PolarHBondContact O-N 2.93Å; P83-S88 WeakPolarHBondContact O-CB 3.16Å |
| 84 | S | 93.5 | Very high | 93.7 | Very high | 57 Ų | 57 | 57 Ų | 57 | 40% | 0.399 | 29% | 0.286 | S | S | . | . | trans | -80.9 | 11.8 | -177.8 | 73 | 0 | 0 | 0 | 0 | 114.6 | M62 | M62-S84 PolarHBondContact O-N 3.38Š| ||
| 85 | D | 93.6 | Very high | 93.9 | Very high | 62 Ų | 62 | 58 Ų | 58 | 33% | 0.332 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -73.9 | 158.2 | 174.5 | 72.4 | 80.8 | 0 | 0 | 0 | 111.4 | P83 E87 S88 A89 | P83-D85 VanDerWaalsContact CB-OD2 3.3Å; P83-D85 WeakPolarHBondContact CB-OD2 3.46Å; P83-D85 PolarHBondContact O-N 2.93Å; D85-E87 VanDerWaalsContact C-N 3.29Å; D85-E87 PolarHBondContact O-N 2.91Å; D85-E87 PolarHBondContact OD1-N 3.47Å; D85-S88 PolarHBondContact O-N 2.97Å; D85-S88 PolarHBondContact OD1-N 2.7Å; D85-S88 PolarHBondContact OD1-OG 3.36Å; D85-S88 WeakPolarHBondContact OD2-CB 3.39Å; D85-S88 PolarHBondContact OD2-OG 3.47Å; D85-A89 WeakPolarHBondContact O-CB 3.25Å; D85-A89 PolarHBondContact O-N 3.27Å |
| 86 | K | 93.9 | Very high | 94.2 | Very high | 106 Ų | 106 | 60.4 Ų | 60.4 | 46% | 0.461 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -58.2 | -39.2 | -173.5 | -176.3 | 178.9 | 180 | -179.6 | 0 | 112.7 | S90 I133 E136 | K86-S90 WeakPolarHBondContact O-CB 3.17Å; K86-S90 PolarHBondContact O-N 2.79Å; K86-S90 PolarHBondContact O-OG 3.25Å; K86-I133 HydrophobicContact CG-CD1 4.31Å; K86-E136 WeakPolarHBondContact CE-OE2 3.3Å; K86-E136 VanDerWaalsContact NZ-CD 3.33Å; K86-E136 IonicContact NZ-OE1 2.74Å; K86-E136 PolarHBondContact NZ-OE1 2.9Å; K86-E136 IonicContact NZ-OE2 3.17Å; K86-E136 PolarHBondContact NZ-OE2 2.89Å |
| 87 | E | 95.9 | Very high | 94.5 | Very high | 100 Ų | 100 | 68.8 Ų | 68.8 | 47% | 0.467 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -73.2 | -45.1 | -175.3 | -176.4 | 60.9 | -165.7 | 0 | 0 | 110.6 | D85 A89 S90 Y91 R94 | D85-E87 VanDerWaalsContact C-N 3.29Å; D85-E87 PolarHBondContact O-N 2.91Å; D85-E87 PolarHBondContact OD1-N 3.47Å; E87-A89 PolarHBondContact O-N 2.78Å; E87-S90 PolarHBondContact O-N 2.7Å; E87-Y91 WeakPolarHBondContact O-CB 3.29Å; E87-Y91 PolarHBondContact O-N 3.33Å; E87-R94 VanDerWaalsContact CD-NH2 3.26Å; E87-R94 IonicContact OE1-CZ 4Å; E87-R94 VanDerWaalsContact OE1-CZ 3.24Å; E87-R94 IonicContact OE1-NH1 2.78Å; E87-R94 PolarHBondContact OE1-NH1 3.02Å; E87-R94 IonicContact OE1-NH2 3.77Å; E87-R94 PolarHBondContact OE1-NH2 2.78Å; E87-R94 IonicContact OE2-CZ 3.01Å; E87-R94 IonicContact OE2-NH1 3.24Å; E87-R94 IonicContact OE2-NH2 3.99Å; E87-R94 PolarHBondContact OE2-NH2 2.82Å |
| 88 | S | 95.7 | Very high | 94.7 | Very high | 33 Ų | 33 | 65.1 Ų | 65.1 | 23% | 0.231 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -58.2 | -46.5 | 174.1 | -65.2 | 0 | 0 | 0 | 0 | 111.7 | P83 D85 S90 Y91 P92 | P83-S88 WeakPolarHBondContact O-CB 3.16Å; D85-S88 PolarHBondContact O-N 2.97Å; D85-S88 PolarHBondContact OD1-N 2.7Å; D85-S88 PolarHBondContact OD1-OG 3.36Å; D85-S88 WeakPolarHBondContact OD2-CB 3.39Å; D85-S88 PolarHBondContact OD2-OG 3.47Å; S88-S90 VanDerWaalsContact C-N 3.34Å; S88-S90 PolarHBondContact O-N 3.3Å; S88-Y91 PolarHBondContact O-N 2.93Å; S88-P92 WeakPolarHBondContact O-CD 3.49Å |
| 89 | A | 95.8 | Very high | 95.1 | Very high | 2 Ų | 2 | 59.6 Ų | 59.6 | 2% | 0.017 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.9 | -34.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | L61 D85 E87 | L61-A89 HydrophobicContact CD1-CB 3.83Å; L61-A89 HydrophobicContact CD2-CB 3.96Å; D85-A89 WeakPolarHBondContact O-CB 3.25Å; D85-A89 PolarHBondContact O-N 3.27Å; E87-A89 PolarHBondContact O-N 2.78Å |
| 90 | S | 97.4 | Very high | 95.5 | Very high | 3 Ų | 3 | 59 Ų | 59 | 2% | 0.021 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -74.8 | -32.4 | 179.9 | -68.7 | 0 | 0 | 0 | 0 | 113 | K86 E87 S88 L93 R94 H137 | K86-S90 WeakPolarHBondContact O-CB 3.17Å; K86-S90 PolarHBondContact O-N 2.79Å; K86-S90 PolarHBondContact O-OG 3.25Å; E87-S90 PolarHBondContact O-N 2.7Å; S88-S90 VanDerWaalsContact C-N 3.34Å; S88-S90 PolarHBondContact O-N 3.3Å; S90-L93 WeakPolarHBondContact O-CB 3.13Å; S90-L93 PolarHBondContact O-N 2.87Å; S90-R94 PolarHBondContact O-N 2.85Å; S90-H137 WeakPolarHBondContact CB-NE2 3.3Å; S90-H137 PolarHBondContact OG-NE2 3.02Å |
| 91 | Y | 97.6 | Very high | 95.8 | Very high | 168 Ų | 168 | 58.3 Ų | 58.3 | 66% | 0.659 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -49.2 | -170.8 | 178 | -90.8 | 0 | 0 | 0 | 113.4 | E87 S88 L93 R94 | E87-Y91 WeakPolarHBondContact O-CB 3.29Å; E87-Y91 PolarHBondContact O-N 3.33Å; S88-Y91 PolarHBondContact O-N 2.93Å; Y91-L93 PolarHBondContact O-N 3.23Å; Y91-R94 PolarHBondContact O-N 2.82Å |
| 92 | P | 97.5 | Very high | 96 | Very high | 13 Ų | 13 | 57.9 Ų | 57.9 | 8% | 0.084 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -61 | -29.4 | 176.1 | -23.3 | 33.6 | 0 | 0 | 0 | 113.7 | Y59 I82 S88 R94 K95 S100 V102 | Y59-P92 HydrophobicContact CD2-CB 3.85Å; Y59-P92 HydrophobicContact CD2-CG 4.05Å; Y59-P92 HydrophobicContact CE2-CB 3.97Å; Y59-P92 HydrophobicContact CE2-CG 4.39Å; Y59-P92 HydrophobicContact CG-CG 4.22Å; I82-P92 HydrophobicContact CD1-CG 4.02Å; S88-P92 WeakPolarHBondContact O-CD 3.49Å; P92-R94 VanDerWaalsContact C-N 3.3Å; P92-R94 PolarHBondContact O-N 2.9Å; P92-K95 WeakPolarHBondContact O-CB 3.35Å; P92-K95 PolarHBondContact O-N 2.85Å; P92-S100 VanDerWaalsContact O-CB 3.27Å; P92-S100 WeakPolarHBondContact O-CB 3.42Å; P92-S100 PolarHBondContact O-OG 3.36Å; P92-V102 HydrophobicContact CB-CG2 3.94Å; P92-V102 HydrophobicContact CG-CG2 4.12Å |
| 93 | L | 97.8 | Very high | 96.1 | Very high | 4 Ų | 4 | 56.8 Ų | 56.8 | 2% | 0.021 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -77.3 | -15.2 | -176.6 | -55.5 | 177.4 | 0 | 0 | 0 | 113.1 | N23 I25 S90 Y91 K95 V102 I133 H137 A139 | N23-L93 HydrophobicContact CB-CD2 3.98Å; N23-L93 PolarHBondContact ND2-O 3.06Å; I25-L93 HydrophobicContact CD1-CD1 3.69Å; I25-L93 HydrophobicContact CG1-CD1 3.82Å; I25-L93 HydrophobicContact CG1-CD2 4.21Å; S90-L93 WeakPolarHBondContact O-CB 3.13Å; S90-L93 PolarHBondContact O-N 2.87Å; Y91-L93 PolarHBondContact O-N 3.23Å; L93-K95 PolarHBondContact O-N 3.48Å; L93-V102 HydrophobicContact CD2-CB 4.25Å; L93-V102 HydrophobicContact CD2-CG2 3.65Å; L93-V102 HydrophobicContact CG-CG2 3.93Å; L93-I133 HydrophobicContact CD1-CG2 3.7Å; L93-H137 HydrophobicContact CB-CB 3.84Å; L93-H137 HydrophobicContact CD1-CB 4.43Å; L93-A139 HydrophobicContact CD1-CB 4.22Å; L93-A139 HydrophobicContact CD2-CB 3.88Å; L93-A139 HydrophobicContact CG-CB 4.47Å |
| 94 | R | 96.2 | Very high | 96.2 | Very high | 124 Ų | 124 | 56.8 Ų | 56.8 | 47% | 0.468 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -74.7 | -9 | 175.2 | -66 | 175.5 | -178.1 | 161.8 | 8.2 | 113.3 | E87 S90 Y91 P92 K96 | E87-R94 VanDerWaalsContact CD-NH2 3.26Å; E87-R94 IonicContact OE1-CZ 4Å; E87-R94 VanDerWaalsContact OE1-CZ 3.24Å; E87-R94 IonicContact OE1-NH1 2.78Å; E87-R94 PolarHBondContact OE1-NH1 3.02Å; E87-R94 IonicContact OE1-NH2 3.77Å; E87-R94 PolarHBondContact OE1-NH2 2.78Å; E87-R94 IonicContact OE2-CZ 3.01Å; E87-R94 IonicContact OE2-NH1 3.24Å; E87-R94 IonicContact OE2-NH2 3.99Å; E87-R94 PolarHBondContact OE2-NH2 2.82Å; S90-R94 PolarHBondContact O-N 2.85Å; Y91-R94 PolarHBondContact O-N 2.82Å; P92-R94 VanDerWaalsContact C-N 3.3Å; P92-R94 PolarHBondContact O-N 2.9Å; R94-K96 PolarHBondContact O-N 2.89Å |
| 95 | K | 93.7 | Very high | 96.4 | Very high | 97 Ų | 97 | 54.7 Ų | 54.7 | 42% | 0.422 | 25% | 0.247 | S | C | . | . | trans | -65.6 | 106.2 | -177.6 | -173.4 | 176.8 | 172.8 | -162.5 | 0 | 110.7 | N23 P92 L93 K97 G98 | N23-K95 PolarHBondContact ND2-O 2.75Å; P92-K95 WeakPolarHBondContact O-CB 3.35Å; P92-K95 PolarHBondContact O-N 2.85Å; L93-K95 PolarHBondContact O-N 3.48Å; K95-K97 PolarHBondContact O-N 2.97Å; K95-K97 VanDerWaalsContact O-N 3.16Å; K95-G98 WeakPolarHBondContact CD-O 3.31Å; K95-G98 WeakPolarHBondContact CE-O 3.39Å; K95-G98 PolarHBondContact NZ-O 2.77Å; K95-G98 PolarHBondContact O-N 2.95Å | ||
| 96 | K | 92.3 | Very high | 96.5 | Very high | 210 Ų | 210 | 52.4 Ų | 52.4 | 91% | 0.913 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -27.5 | -175.7 | -66.2 | -171.7 | 179.7 | -176.9 | 0 | 115 | R94 G98 | R94-K96 PolarHBondContact O-N 2.89Å; K96-G98 VanDerWaalsContact C-N 3.29Å |
| 97 | K | 94.3 | Very high | 96.3 | Very high | 183 Ų | 183 | 47.3 Ų | 47.3 | 80% | 0.796 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -3.6 | -179.9 | -67.6 | -172.6 | 177.8 | -176.7 | 0 | 113.6 | K95 | K95-K97 PolarHBondContact O-N 2.97Å; K95-K97 VanDerWaalsContact O-N 3.16Å |
| 98 | G | 96.4 | Very high | 95.9 | Very high | 3 Ų | 3 | 43.4 Ų | 43.4 | 3% | 0.031 | 20% | 0.2 | C | C | . | . | trans | 75.7 | -166.2 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | P20 R21 N23 K95 K96 | P20-G98 CarbonylContact O-C 3.33Å; R21-G98 WeakPolarHBondContact O-CA 3.37Å; N23-G98 WeakPolarHBondContact OD1-CA 3.36Å; K95-G98 WeakPolarHBondContact CD-O 3.31Å; K95-G98 WeakPolarHBondContact CE-O 3.39Å; K95-G98 PolarHBondContact NZ-O 2.77Å; K95-G98 PolarHBondContact O-N 2.95Å; K96-G98 VanDerWaalsContact C-N 3.29Å | ||
| 99 | G | 97.6 | Very high | 95.4 | Very high | 2 Ų | 2 | 43 Ų | 43 | 2% | 0.021 | 20% | 0.198 | C | C | . | . | trans | 93.5 | 8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | P20 H22 N23 L56 T57 | P20-G99 WeakPolarHBondContact O-CA 3.43Å; P20-G99 PolarHBondContact O-N 3.39Å; H22-G99 PolarHBondContact O-N 3.26Å; N23-G99 PolarHBondContact OD1-N 2.89Å; L56-G99 CarbonylContact C-O 3.56Å; L56-G99 WeakPolarHBondContact CA-O 3.26Å; T57-G99 PolarHBondContact N-O 2.86Å | ||
| 100 | S | 98.3 | Very high | 95 | Very high | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.007 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 132.8 | 175 | -57.7 | 0 | 0 | 0 | 0 | 110.5 | N23 Y24 P92 | N23-S100 CarbonylContact C-O 3.51Å; N23-S100 WeakPolarHBondContact CA-O 3.49Å; N23-S100 WeakPolarHBondContact OD1-CB 3.24Å; N23-S100 PolarHBondContact OD1-N 2.8Å; N23-S100 VanDerWaalsContact OD1-N 3.1Å; Y24-S100 PolarHBondContact N-O 3.16Å; P92-S100 VanDerWaalsContact O-CB 3.27Å; P92-S100 WeakPolarHBondContact O-CB 3.42Å; P92-S100 PolarHBondContact O-OG 3.36Å |
| 101 | A | 98.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 98.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | Y24 L26 F49 L56 T57 S58 Y59 | Y24-A101 WeakPolarHBondContact O-CA 3.35Å; L26-A101 HydrophobicContact CD1-CB 3.87Å; F49-A101 HydrophobicContact CZ-CB 4.22Å; L56-A101 HydrophobicContact CD1-CB 4.39Å; T57-A101 PolarHBondContact O-N 2.86Å; S58-A101 CarbonylContact C-O 3.52Å; S58-A101 VanDerWaalsContact CA-O 3.27Å; S58-A101 WeakPolarHBondContact CA-O 3.39Å; Y59-A101 PolarHBondContact N-O 3.13Å |
| 102 | V | 98.6 | Very high | 94.1 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.006 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 121.1 | 176.7 | 176.7 | 0 | 0 | 0 | 0 | 108.7 | Y24 I25 L26 Y59 L61 P92 L93 I104 | Y24-V102 PolarHBondContact O-N 3.49Å; I25-V102 CarbonylContact C-O 3.39Å; I25-V102 VanDerWaalsContact CA-O 3.29Å; I25-V102 WeakPolarHBondContact CA-O 3.5Å; L26-V102 PolarHBondContact N-O 3.29Å; Y59-V102 CarbonylContact O-C 3.48Å; Y59-V102 WeakPolarHBondContact O-CA 3.15Å; L61-V102 HydrophobicContact CD1-CG1 4.35Å; L61-V102 HydrophobicContact CD2-CG1 3.86Å; L61-V102 HydrophobicContact CG-CG1 4.03Å; P92-V102 HydrophobicContact CB-CG2 3.94Å; P92-V102 HydrophobicContact CG-CG2 4.12Å; L93-V102 HydrophobicContact CD2-CB 4.25Å; L93-V102 HydrophobicContact CD2-CG2 3.65Å; L93-V102 HydrophobicContact CG-CG2 3.93Å; V102-I104 HydrophobicContact CG1-CD1 4.34Å; V102-I104 HydrophobicContact CG1-CG1 4.07Å |
| 103 | V | 98.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 126.9 | -177.9 | -170.6 | 0 | 0 | 0 | 0 | 109.4 | L26 F28 F42 Y59 L60 L61 | L26-V103 HydrophobicContact CB-CB 4.46Å; L26-V103 HydrophobicContact CB-CG1 4.33Å; L26-V103 HydrophobicContact CB-CG2 4.14Å; L26-V103 HydrophobicContact CD2-CG2 4.21Å; L26-V103 WeakPolarHBondContact O-CA 3.42Å; F28-V103 HydrophobicContact CB-CG1 4.14Å; F42-V103 HydrophobicContact CB-CG2 3.93Å; F42-V103 HydrophobicContact CD1-CG2 4Å; F42-V103 HydrophobicContact CD2-CB 4.45Å; F42-V103 HydrophobicContact CD2-CG1 3.71Å; F42-V103 HydrophobicContact CD2-CG2 4.13Å; F42-V103 HydrophobicContact CE2-CG1 4Å; F42-V103 HydrophobicContact CG-CB 4.49Å; F42-V103 HydrophobicContact CG-CG1 4.21Å; F42-V103 HydrophobicContact CG-CG2 3.75Å; Y59-V103 PolarHBondContact O-N 3.07Å; L60-V103 HydrophobicContact CD1-CB 3.82Å; L60-V103 HydrophobicContact CD1-CG1 3.74Å; L61-V103 PolarHBondContact N-O 2.74Å |
| 104 | I | 97.6 | Very high | 93 | Very high | 23 Ų | 23 | 38.3 Ų | 38.3 | 12% | 0.118 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 118.4 | -175.7 | -49.3 | -171.8 | 0 | 0 | 0 | 108.9 | I25 L26 F28 L61 V102 V106 F130 | I25-I104 HydrophobicContact CG2-CD1 3.69Å; I25-I104 HydrophobicContact CG2-CG1 4.05Å; L26-I104 PolarHBondContact O-N 3.46Å; F28-I104 PolarHBondContact N-O 3.05Å; L61-I104 HydrophobicContact CD1-CB 4.35Å; L61-I104 HydrophobicContact CD1-CD1 3.74Å; L61-I104 HydrophobicContact CD1-CG1 3.57Å; L61-I104 HydrophobicContact CD1-CG2 4.21Å; L61-I104 HydrophobicContact CG-CG1 4Å; V102-I104 HydrophobicContact CG1-CD1 4.34Å; V102-I104 HydrophobicContact CG1-CG1 4.07Å; I104-V106 HydrophobicContact CG2-CG2 4.44Å; I104-V106 WeakPolarHBondContact O-CG2 3.38Å; I104-V106 PolarHBondContact O-N 3.29Å; I104-V106 VanDerWaalsContact O-N 3.17Å; I104-F130 HydrophobicContact CD1-CB 3.97Å |
| 105 | A | 96.6 | Very high | 92.5 | Very high | 14 Ų | 14 | 32.5 Ų | 32.5 | 12% | 0.116 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 97.9 | 166 | 0 | 0 | 0 | 0 | 0 | 108.7 | F28 H31 V35 G107 G108 | F28-A105 HydrophobicContact CD1-CB 4.36Å; F28-A105 WeakPolarHBondContact O-CA 3.27Å; H31-A105 HydrophobicContact CB-CB 4.14Å; H31-A105 WeakPolarHBondContact CD2-CB 3.47Å; V35-A105 HydrophobicContact CG1-CB 3.94Å; V35-A105 HydrophobicContact CG2-CB 4.34Å; A105-G107 PolarHBondContact O-N 3Å; A105-G108 PolarHBondContact O-N 3.16Å |
| 106 | V | 95.8 | Very high | 92.2 | Very high | 13 Ų | 13 | 30 Ų | 30 | 8% | 0.079 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -37.8 | -158.2 | -179.5 | 0 | 0 | 0 | 0 | 113.1 | F28 H29 I104 G108 L124 K127 F130 | F28-V106 PolarHBondContact O-N 3.41Å; H29-V106 VanDerWaalsContact CE1-CB 3.45Å; H29-V106 WeakPolarHBondContact CE1-CB 3.33Å; I104-V106 HydrophobicContact CG2-CG2 4.44Å; I104-V106 WeakPolarHBondContact O-CG2 3.38Å; I104-V106 PolarHBondContact O-N 3.29Å; I104-V106 VanDerWaalsContact O-N 3.17Å; V106-G108 PolarHBondContact O-N 2.9Å; V106-L124 HydrophobicContact CG1-CD1 3.8Å; V106-K127 HydrophobicContact CG1-CB 3.82Å; V106-K127 HydrophobicContact CG1-CG 4.38Å; V106-F130 HydrophobicContact CG1-CD1 3.79Å; V106-F130 HydrophobicContact CG1-CE1 3.69Å; V106-F130 HydrophobicContact CG2-CD1 4.35Å; V106-F130 HydrophobicContact CG2-CE1 4.37Å |
| 107 | G | 90.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -24.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | A105 P110 E111 L123 | A105-G107 PolarHBondContact O-N 3Å; G107-P110 WeakPolarHBondContact O-CD 3.41Å; G107-E111 WeakPolarHBondContact CA-OE2 3.47Å; G107-L123 WeakPolarHBondContact CA-O 3.37Å |
| 108 | G | 88.8 | Confident | 91.5 | Very high | 18 Ų | 18 | 16 Ų | 16 | 19% | 0.186 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | 62.4 | -157.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | H31 A105 V106 P110 E111 A112 | H31-G108 WeakPolarHBondContact CD2-CA 3.19Å; H31-G108 PolarHBondContact CD2-O 3.19Å; A105-G108 PolarHBondContact O-N 3.16Å; V106-G108 PolarHBondContact O-N 2.9Å; G108-P110 VanDerWaalsContact C-CD 3.46Å; G108-P110 VanDerWaalsContact C-N 3.32Å; G108-E111 PolarHBondContact O-N 2.88Å; G108-E111 VanDerWaalsContact O-N 3.16Å; G108-A112 PolarHBondContact O-N 2.93Å |
| 109 | A | 84.7 | Confident | 91.1 | Very high | 23 Ų | 23 | 17.6 Ų | 17.6 | 19% | 0.19 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -52.6 | -39.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | E111 A112 Q172 S178 | A109-E111 PolarHBondContact O-N 3.19Å; A109-A112 WeakPolarHBondContact O-CB 3.42Å; A109-A112 PolarHBondContact O-N 3.42Å; A109-Q172 PolarHBondContact O-NE2 2.88Å; A109-Q172 VanDerWaalsContact O-NE2 3.16Å; A109-S178 WeakPolarHBondContact CA-OG 3.21Å; A109-S178 WeakPolarHBondContact CB-OG 3.33Å; A109-S178 WeakPolarHBondContact O-CB 3.23Å; A109-S178 PolarHBondContact O-OG 2.96Å; A109-S178 VanDerWaalsContact O-OG 3.11Å |
| 110 | P | 86.8 | Confident | 90.8 | Very high | 36 Ų | 36 | 19.9 Ų | 19.9 | 23% | 0.234 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59.2 | -45 | 177.2 | -28.1 | 37.2 | 0 | 0 | 0 | 113.5 | G107 G108 A112 L113 L123 Q172 | G107-P110 WeakPolarHBondContact O-CD 3.41Å; G108-P110 VanDerWaalsContact C-CD 3.46Å; G108-P110 VanDerWaalsContact C-N 3.32Å; P110-A112 VanDerWaalsContact C-N 3.29Å; P110-A112 PolarHBondContact O-N 3.38Å; P110-L113 WeakPolarHBondContact O-CB 3.29Å; P110-L113 PolarHBondContact O-N 2.97Å; P110-L113 VanDerWaalsContact O-N 3.12Å; P110-L123 HydrophobicContact CB-CD1 3.73Å; P110-Q172 VanDerWaalsContact CA-NE2 3.27Å |
| 111 | E | 89.8 | Confident | 90.5 | Very high | 8 Ų | 8 | 23 Ų | 23 | 4% | 0.037 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -66.8 | -30.9 | 179.9 | -174.2 | 173.5 | -112 | 0 | 0 | 112.5 | H31 G107 G108 A109 L113 D114 A115 V122 L123 | H31-E111 WeakPolarHBondContact CA-OE2 3.42Å; H31-E111 HydrophobicContact CB-CB 4.17Å; H31-E111 HydrophobicContact CB-CG 4.17Å; H31-E111 WeakPolarHBondContact CB-OE2 3.21Å; H31-E111 PolarHBondContact N-OE2 3.36Å; G107-E111 WeakPolarHBondContact CA-OE2 3.47Å; G108-E111 PolarHBondContact O-N 2.88Å; G108-E111 VanDerWaalsContact O-N 3.16Å; A109-E111 PolarHBondContact O-N 3.19Å; E111-L113 PolarHBondContact O-N 3.48Å; E111-D114 CarbonylContact O-C 3.5Å; E111-D114 PolarHBondContact O-N 3.29Å; E111-A115 PolarHBondContact O-N 3.01Å; E111-V122 WeakPolarHBondContact OE1-CA 3.47Å; E111-L123 HydrophobicContact CB-CB 3.97Å; E111-L123 HydrophobicContact CG-CB 4.3Å; E111-L123 PolarHBondContact OE1-N 3.28Å |
| 112 | A | 85.9 | Confident | 90.3 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.7 | -20.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | G32 G108 A109 P110 D114 Q155 | G32-A112 WeakPolarHBondContact O-CA 3.07Å; G32-A112 WeakPolarHBondContact O-CB 3.39Å; G108-A112 PolarHBondContact O-N 2.93Å; A109-A112 WeakPolarHBondContact O-CB 3.42Å; A109-A112 PolarHBondContact O-N 3.42Å; P110-A112 VanDerWaalsContact C-N 3.29Å; P110-A112 PolarHBondContact O-N 3.38Å; A112-D114 VanDerWaalsContact C-N 3.31Å; A112-Q155 PolarHBondContact O-OE1 3.33Å |
| 113 | L | 85.8 | Confident | 90 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -8.5 | 173.5 | -65.5 | 176.8 | 0 | 0 | 0 | 112.8 | P110 E111 Q155 N158 R165 Q168 P180 | P110-L113 WeakPolarHBondContact O-CB 3.29Å; P110-L113 PolarHBondContact O-N 2.97Å; P110-L113 VanDerWaalsContact O-N 3.12Å; E111-L113 PolarHBondContact O-N 3.48Å; L113-Q155 VanDerWaalsContact C-NE2 3.32Å; L113-Q155 PolarHBondContact O-NE2 3.25Å; L113-N158 PolarHBondContact O-ND2 3.43Å; L113-N158 PolarHBondContact O-OD1 3.47Å; L113-R165 PolarHBondContact O-NH1 3.15Å; L113-Q168 HydrophobicContact CD1-CB 4.12Å; L113-Q168 HydrophobicContact CD2-CB 4.18Å; L113-Q168 HydrophobicContact CD2-CG 4.38Å; L113-P180 HydrophobicContact CD2-CB 4.23Å |
| 114 | D | 86.4 | Confident | 89.9 | Confident | 48 Ų | 48 | 24.5 Ų | 24.5 | 26% | 0.257 | 15% | 0.154 | S | C | . | . | S | Bend | trans | -119.5 | 18.9 | -179.4 | -62.9 | -62.7 | 0 | 0 | 0 | 111 | E111 A112 H116 R165 | E111-D114 CarbonylContact O-C 3.5Å; E111-D114 PolarHBondContact O-N 3.29Å; A112-D114 VanDerWaalsContact C-N 3.31Å; D114-H116 PolarHBondContact O-N 2.84Å; D114-R165 IonicContact OD1-CZ 3.39Å; D114-R165 IonicContact OD1-NH1 3.66Å; D114-R165 PolarHBondContact OD1-NH1 2.87Å; D114-R165 IonicContact OD1-NH2 2.75Å; D114-R165 PolarHBondContact OD1-NH2 2.7Å; D114-R165 IonicContact OD2-CZ 2.84Å; D114-R165 IonicContact OD2-NH1 3.47Å; D114-R165 IonicContact OD2-NH2 3.51Å; D114-R165 PolarHBondContact OD2-NH2 2.76Å |
| 115 | A | 87.1 | Confident | 89.7 | Confident | 2 Ų | 2 | 24.8 Ų | 24.8 | 2% | 0.017 | 16% | 0.16 | C | C | . | . | trans | -80.9 | 63.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | V33 E111 Q155 | V33-A115 HydrophobicContact CG2-CB 3.8Å; E111-A115 PolarHBondContact O-N 3.01Å; A115-Q155 VanDerWaalsContact N-OE1 3.12Å; A115-Q155 PolarHBondContact O-OE1 2.79Å | ||
| 116 | H | 86.4 | Confident | 89.5 | Confident | 46 Ų | 46 | 30.4 Ų | 30.4 | 21% | 0.213 | 19% | 0.189 | C | C | . | . | trans | -92.4 | 139.6 | 179.7 | -60.2 | -73.4 | 0 | 0 | 0 | 111.9 | D114 T119 N158 | D114-H116 PolarHBondContact O-N 2.84Å; H116-T119 HydrophobicContact CB-CG2 3.86Å; H116-T119 WeakPolarHBondContact O-CB 3.31Å; H116-T119 PolarHBondContact O-N 2.87Å; H116-T119 PolarHBondContact O-OG1 3.22Å; H116-N158 PolarHBondContact CE1-OD1 3.23Å; H116-N158 PolarHBondContact NE2-OD1 3.21Å; H116-N158 VanDerWaalsContact NE2-OD1 3.15Å | ||
| 117 | P | 86.4 | Confident | 89.4 | Confident | 47 Ų | 47 | 33.2 Ų | 33.2 | 31% | 0.305 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | 143.8 | 171.7 | -28.3 | 35 | 0 | 0 | 0 | 112.9 | T119 E151 | P117-T119 PolarHBondContact O-N 2.97Å; P117-E151 VanDerWaalsContact CA-OE1 3.29Å; P117-E151 WeakPolarHBondContact CA-OE1 3.45Å |
| 118 | G | 85.9 | Confident | 89.7 | Confident | 51 Ų | 51 | 36.1 Ų | 36.1 | 53% | 0.526 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.8 | 2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | E151 | G118-E151 PolarHBondContact N-OE1 3.48Š|
| 119 | T | 87.1 | Confident | 90.1 | Very high | 37 Ų | 37 | 37.7 Ų | 37.7 | 23% | 0.227 | 23% | 0.228 | C | C | . | . | trans | -98.1 | 143.4 | 179.1 | 70.8 | 0 | 0 | 0 | 0 | 112.7 | H116 P117 N150 | H116-T119 HydrophobicContact CB-CG2 3.86Å; H116-T119 WeakPolarHBondContact O-CB 3.31Å; H116-T119 PolarHBondContact O-N 2.87Å; H116-T119 PolarHBondContact O-OG1 3.22Å; P117-T119 PolarHBondContact O-N 2.97Å; T119-N150 PolarHBondContact O-ND2 3.26Å | ||
| 120 | F | 92.3 | Very high | 90.7 | Very high | 50 Ų | 50 | 37 Ų | 37 | 22% | 0.219 | 22% | 0.221 | C | C | . | . | trans | -124.3 | 31.9 | 179.2 | -60.8 | -77.2 | 0 | 0 | 0 | 111.3 | F145 F237 V246 V250 L252 N253 | F120-F145 HydrophobicContact CD1-CZ 4.18Å; F120-F237 HydrophobicContact CB-CZ 4.32Å; F120-F237 AromaticContact CD1-CE2 3.46Å; F120-F237 HydrophobicContact CD1-CE2 3.46Å; F120-F237 VanDerWaalsContact CD1-CE2 3.46Å; F120-F237 AromaticContact CD1-CZ 3.64Å; F120-F237 HydrophobicContact CD1-CZ 3.64Å; F120-F237 AromaticContact CE1-CE2 3.85Å; F120-F237 HydrophobicContact CE1-CE2 3.85Å; F120-F237 HydrophobicContact CE1-CZ 4.08Å; F120-F237 HydrophobicContact CG-CE2 4.18Å; F120-F237 AromaticContact CG-CZ 3.93Å; F120-F237 HydrophobicContact CG-CZ 3.93Å; F120-V246 HydrophobicContact CE1-CG1 4.31Å; F120-V246 HydrophobicContact CE1-CG2 3.89Å; F120-V246 HydrophobicContact CE2-CG1 3.93Å; F120-V246 HydrophobicContact CE2-CG2 4.47Å; F120-V246 HydrophobicContact CZ-CB 4.28Å; F120-V246 HydrophobicContact CZ-CG1 3.75Å; F120-V246 HydrophobicContact CZ-CG2 3.52Å; F120-V250 HydrophobicContact CB-CG1 4.49Å; F120-V250 HydrophobicContact CD2-CG1 3.37Å; F120-V250 HydrophobicContact CE2-CG1 3.77Å; F120-V250 HydrophobicContact CG-CG1 4.04Å; F120-L252 HydrophobicContact CB-CD2 4.18Å; F120-N253 PolarHBondContact O-N 3.04Å; F120-N253 VanDerWaalsContact O-N 3.09Å | ||
| 121 | N | 91.6 | Very high | 91.2 | Very high | 65 Ų | 65 | 35.3 Ų | 35.3 | 35% | 0.348 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 127.4 | 173.7 | -60.6 | -47.4 | 0 | 0 | 0 | 108.8 | N253 V255 | N121-N253 CarbonylContact C-O 3.48Å; N121-N253 WeakPolarHBondContact CA-O 3.46Å; N121-N253 WeakPolarHBondContact OD1-CB 3.46Å; N121-N253 PolarHBondContact OD1-ND2 3.28Å; N121-V255 HydrophobicContact CB-CG2 4.24Å |
| 122 | V | 93.4 | Very high | 91.6 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.006 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 122 | 179.2 | 178.5 | 0 | 0 | 0 | 0 | 109.5 | H29 E111 L124 F145 L252 N253 F254 V255 | H29-V122 HydrophobicContact CB-CG1 3.99Å; H29-V122 HydrophobicContact CB-CG2 4.32Å; H29-V122 WeakPolarHBondContact ND1-CG1 3.39Å; E111-V122 WeakPolarHBondContact OE1-CA 3.47Å; V122-L124 HydrophobicContact CG1-CB 4.01Å; V122-L124 PolarHBondContact O-N 3.04Å; V122-F145 HydrophobicContact CG2-CE2 4.22Å; V122-L252 HydrophobicContact CG2-CD2 4.01Å; V122-N253 PolarHBondContact N-O 2.85Å; V122-F254 HydrophobicContact CB-CD1 4.3Å; V122-F254 CarbonylContact O-C 3.55Å; V122-F254 WeakPolarHBondContact O-CA 3.48Å; V122-V255 PolarHBondContact O-N 3Å |
| 123 | L | 93.6 | Very high | 92.2 | Very high | 32 Ų | 32 | 40.2 Ų | 40.2 | 17% | 0.168 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -80.6 | 84.2 | -178.7 | -158 | 155.1 | 0 | 0 | 0 | 109.9 | G107 P110 E111 K127 V255 | G107-L123 WeakPolarHBondContact CA-O 3.37Å; P110-L123 HydrophobicContact CB-CD1 3.73Å; E111-L123 HydrophobicContact CB-CB 3.97Å; E111-L123 HydrophobicContact CG-CB 4.3Å; E111-L123 PolarHBondContact OE1-N 3.28Å; L123-K127 HydrophobicContact CD2-CD 4.15Å; L123-K127 HydrophobicContact CD2-CG 3.97Å; L123-K127 WeakPolarHBondContact O-CG 3.47Å; L123-V255 CarbonylContact C-O 3.53Å; L123-V255 VanDerWaalsContact CA-O 3.28Å; L123-V255 WeakPolarHBondContact CA-O 3.45Å; L123-V255 HydrophobicContact CB-CG2 4.22Å; L123-V255 HydrophobicContact CG-CG2 4.49Å |
| 124 | L | 95.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | trans | -133.5 | -23.7 | -172.1 | 178.4 | 59.6 | 0 | 0 | 0 | 112.8 | V106 V122 N126 K127 F130 H226 Y229 M230 L233 F254 V255 | V106-L124 HydrophobicContact CG1-CD1 3.8Å; V122-L124 HydrophobicContact CG1-CB 4.01Å; V122-L124 PolarHBondContact O-N 3.04Å; L124-N126 PolarHBondContact O-N 3.45Å; L124-K127 HydrophobicContact CD1-CB 4.39Å; L124-K127 PolarHBondContact O-N 3.22Å; L124-F130 HydrophobicContact CD1-CE1 3.79Å; L124-F130 HydrophobicContact CD1-CZ 4.02Å; L124-H226 PolarHBondContact O-CE1 3.22Å; L124-H226 PolarHBondContact O-NE2 3.47Å; L124-Y229 HydrophobicContact CD1-CD1 4.35Å; L124-Y229 HydrophobicContact CD1-CE1 4.15Å; L124-Y229 HydrophobicContact CD2-CD1 4.07Å; L124-Y229 HydrophobicContact CD2-CE1 3.88Å; L124-M230 HydrophobicContact CD2-CG 3.78Å; L124-M230 HydrophobicContact CG-CG 4.03Å; L124-L233 HydrophobicContact CD2-CD2 3.58Å; L124-F254 HydrophobicContact CB-CD1 4.17Å; L124-F254 HydrophobicContact CD2-CD1 4.03Å; L124-F254 HydrophobicContact CD2-CE1 3.92Å; L124-V255 PolarHBondContact N-O 2.95Å | ||
| 125 | A | 93.9 | Very high | 93.4 | Very high | 29 Ų | 29 | 38.6 Ų | 38.6 | 24% | 0.24 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -33.9 | -165.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | H226 F254 V255 | A125-H226 PolarHBondContact O-CE1 2.85Å; A125-F254 HydrophobicContact CB-CB 4.4Å; A125-V255 WeakPolarHBondContact CB-O 3.29Å; A125-V255 PolarHBondContact N-O 3.33Å |
| 126 | N | 92 | Very high | 93.9 | Very high | 133 Ų | 133 | 40.1 Ų | 40.1 | 71% | 0.711 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -115.8 | 10.6 | -178.7 | -62.9 | -63.8 | 0 | 0 | 0 | 114 | L124 K128 | L124-N126 PolarHBondContact O-N 3.45Å; N126-K128 PolarHBondContact O-N 3.31Å |
| 127 | K | 94.1 | Very high | 94.4 | Very high | 71 Ų | 71 | 39.8 Ų | 39.8 | 31% | 0.309 | 23% | 0.228 | S | C | . | . | trans | -92.6 | 66.2 | -171 | -68.5 | -69.2 | -171.5 | 168.1 | 0 | 113 | V106 L123 L124 G129 F130 | V106-K127 HydrophobicContact CG1-CB 3.82Å; V106-K127 HydrophobicContact CG1-CG 4.38Å; L123-K127 HydrophobicContact CD2-CD 4.15Å; L123-K127 HydrophobicContact CD2-CG 3.97Å; L123-K127 WeakPolarHBondContact O-CG 3.47Å; L124-K127 HydrophobicContact CD1-CB 4.39Å; L124-K127 PolarHBondContact O-N 3.22Å; K127-G129 VanDerWaalsContact C-N 3.32Å; K127-G129 PolarHBondContact O-N 3.29Å; K127-F130 WeakPolarHBondContact O-CD1 3.45Å; K127-F130 WeakPolarHBondContact O-CE1 3.43Å | ||
| 128 | K | 96.5 | Very high | 95 | Very high | 62 Ų | 62 | 38.6 Ų | 38.6 | 27% | 0.27 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | 0.8 | -176.5 | -62.5 | 172.3 | -177.8 | 169.2 | 0 | 115.4 | N126 F130 I131 K132 D223 H226 | N126-K128 PolarHBondContact O-N 3.31Å; K128-F130 PolarHBondContact O-N 3.18Å; K128-I131 WeakPolarHBondContact O-CB 3.44Å; K128-I131 PolarHBondContact O-N 3.47Å; K128-K132 PolarHBondContact O-N 3.1Å; K128-D223 WeakPolarHBondContact CD-OD1 3.28Å; K128-D223 WeakPolarHBondContact CE-OD1 3.48Å; K128-D223 IonicContact NZ-OD1 3.52Å; K128-D223 PolarHBondContact NZ-OD1 3.41Å; K128-D223 IonicContact NZ-OD2 3.65Å; K128-H226 HydrophobicContact CG-CB 4.15Å |
| 129 | G | 96.2 | Very high | 95.6 | Very high | 50 Ų | 50 | 36.2 Ų | 36.2 | 52% | 0.515 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -62.9 | -42.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114 | K127 K132 I133 | K127-G129 VanDerWaalsContact C-N 3.32Å; K127-G129 PolarHBondContact O-N 3.29Å; G129-K132 WeakPolarHBondContact O-CB 3.3Å; G129-K132 PolarHBondContact O-N 2.97Å; G129-I133 WeakPolarHBondContact O-CG1 3.45Å; G129-I133 PolarHBondContact O-N 3.1Å; G129-I133 VanDerWaalsContact O-N 3.15Å |
| 130 | F | 97.6 | Very high | 96.2 | Very high | 10 Ų | 10 | 35.5 Ų | 35.5 | 4% | 0.044 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -71.4 | -34.1 | 178.5 | 75.9 | -79.3 | 0 | 0 | 0 | 112.2 | I25 I104 V106 L124 K127 K128 K132 I133 A134 L141 Y229 | I25-F130 HydrophobicContact CG2-CD2 4.29Å; I104-F130 HydrophobicContact CD1-CB 3.97Å; V106-F130 HydrophobicContact CG1-CD1 3.79Å; V106-F130 HydrophobicContact CG1-CE1 3.69Å; V106-F130 HydrophobicContact CG2-CD1 4.35Å; V106-F130 HydrophobicContact CG2-CE1 4.37Å; L124-F130 HydrophobicContact CD1-CE1 3.79Å; L124-F130 HydrophobicContact CD1-CZ 4.02Å; K127-F130 WeakPolarHBondContact O-CD1 3.45Å; K127-F130 WeakPolarHBondContact O-CE1 3.43Å; K128-F130 PolarHBondContact O-N 3.18Å; F130-K132 VanDerWaalsContact C-N 3.32Å; F130-K132 PolarHBondContact O-N 3.12Å; F130-I133 PolarHBondContact O-N 2.82Å; F130-A134 WeakPolarHBondContact O-CB 3.38Å; F130-A134 PolarHBondContact O-N 3.32Å; F130-L141 HydrophobicContact CD2-CD2 3.6Å; F130-L141 HydrophobicContact CE2-CD2 3.7Å; F130-Y229 HydrophobicContact CE2-CD1 4.11Å; F130-Y229 AromaticContact CE2-CD2 3.97Å; F130-Y229 HydrophobicContact CE2-CD2 3.97Å; F130-Y229 AromaticContact CE2-CE1 3.96Å; F130-Y229 HydrophobicContact CE2-CE1 3.96Å; F130-Y229 AromaticContact CE2-CE2 3.82Å; F130-Y229 HydrophobicContact CE2-CE2 3.82Å; F130-Y229 HydrophobicContact CE2-CG 4.12Å; F130-Y229 AromaticContact CE2-CZ 3.82Å; F130-Y229 AromaticContact CZ-CD1 3.62Å; F130-Y229 HydrophobicContact CZ-CD1 3.62Å; F130-Y229 HydrophobicContact CZ-CD2 4.31Å; F130-Y229 AromaticContact CZ-CE1 3.57Å; F130-Y229 HydrophobicContact CZ-CE1 3.57Å; F130-Y229 HydrophobicContact CZ-CE2 4.28Å; F130-Y229 HydrophobicContact CZ-CG 4Å; F130-Y229 AromaticContact CZ-CZ 3.93Å |
| 131 | I | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58.3 | -46.9 | 171.7 | -55.3 | -62.2 | 0 | 0 | 0 | 110 | K128 I133 A134 M135 L141 L222 L225 H226 Y229 | K128-I131 WeakPolarHBondContact O-CB 3.44Å; K128-I131 PolarHBondContact O-N 3.47Å; I131-I133 PolarHBondContact O-N 3.41Å; I131-A134 WeakPolarHBondContact O-CB 3.44Å; I131-A134 PolarHBondContact O-N 3.34Å; I131-M135 HydrophobicContact CG2-SD 4.44Å; I131-M135 WeakPolarHBondContact O-CG 3.3Å; I131-M135 PolarHBondContact O-N 3.43Å; I131-L141 HydrophobicContact CD1-CD1 3.41Å; I131-L141 VanDerWaalsContact CD1-CD1 3.41Å; I131-L141 HydrophobicContact CD1-CD2 4.33Å; I131-L222 HydrophobicContact CB-CD2 4.43Å; I131-L222 HydrophobicContact CG2-CD2 3.97Å; I131-L225 HydrophobicContact CG2-CB 3.93Å; I131-L225 HydrophobicContact CG2-CD2 3.75Å; I131-L225 HydrophobicContact CG2-CG 3.85Å; I131-H226 HydrophobicContact CD1-CB 4.49Å; I131-H226 HydrophobicContact CG1-CB 4.02Å; I131-Y229 HydrophobicContact CD1-CG 4.24Å |
| 132 | K | 98.2 | Very high | 96.8 | Very high | 90 Ų | 90 | 30 Ų | 30 | 39% | 0.391 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -59 | -45.7 | 177.1 | -175.8 | 175.2 | 179.8 | 173.2 | 0 | 112.2 | K128 G129 F130 A134 M135 E136 P217 L222 | K128-K132 PolarHBondContact O-N 3.1Å; G129-K132 WeakPolarHBondContact O-CB 3.3Å; G129-K132 PolarHBondContact O-N 2.97Å; F130-K132 VanDerWaalsContact C-N 3.32Å; F130-K132 PolarHBondContact O-N 3.12Å; K132-A134 VanDerWaalsContact C-N 3.34Å; K132-M135 PolarHBondContact O-N 3Å; K132-E136 WeakPolarHBondContact CE-OE1 3.41Å; K132-E136 HydrophobicContact CG-CG 4.41Å; K132-E136 WeakPolarHBondContact O-CB 3.1Å; K132-E136 VanDerWaalsContact O-CG 3.3Å; K132-E136 WeakPolarHBondContact O-CG 3.1Å; K132-E136 PolarHBondContact O-N 3.42Å; K132-P217 HydrophobicContact CG-CG 4.17Å; K132-L222 HydrophobicContact CB-CD2 3.76Å; K132-L222 HydrophobicContact CG-CD2 4.33Å |
| 133 | I | 98 | Very high | 97.1 | Very high | 21 Ų | 21 | 30 Ų | 30 | 11% | 0.108 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63 | -42.7 | 176.8 | -64.1 | 172.1 | 0 | 0 | 0 | 110.5 | I25 K86 L93 G129 F130 I131 M135 E136 H137 | I25-I133 HydrophobicContact CD1-CB 4.15Å; I25-I133 HydrophobicContact CD1-CG2 3.83Å; K86-I133 HydrophobicContact CG-CD1 4.31Å; L93-I133 HydrophobicContact CD1-CG2 3.7Å; G129-I133 WeakPolarHBondContact O-CG1 3.45Å; G129-I133 PolarHBondContact O-N 3.1Å; G129-I133 VanDerWaalsContact O-N 3.15Å; F130-I133 PolarHBondContact O-N 2.82Å; I131-I133 PolarHBondContact O-N 3.41Å; I133-M135 VanDerWaalsContact C-N 3.34Å; I133-M135 PolarHBondContact O-N 3.18Å; I133-E136 PolarHBondContact O-N 3.42Å; I133-H137 PolarHBondContact O-CD2 2.94Å; I133-H137 VanDerWaalsContact O-CD2 3.25Å; I133-H137 PolarHBondContact O-N 3.47Å; I133-H137 VanDerWaalsContact O-N 3.17Å |
| 134 | A | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -56.3 | -48.7 | 177 | 0 | 0 | 0 | 0 | 0 | 111.4 | I25 F130 I131 K132 H137 G138 A139 L141 V211 | I25-A134 HydrophobicContact CD1-CB 3.92Å; F130-A134 WeakPolarHBondContact O-CB 3.38Å; F130-A134 PolarHBondContact O-N 3.32Å; I131-A134 WeakPolarHBondContact O-CB 3.44Å; I131-A134 PolarHBondContact O-N 3.34Å; K132-A134 VanDerWaalsContact C-N 3.34Å; A134-H137 PolarHBondContact O-N 3.34Å; A134-G138 CarbonylContact O-C 3.6Å; A134-G138 WeakPolarHBondContact O-CA 3.47Å; A134-G138 PolarHBondContact O-N 3.3Å; A134-A139 WeakPolarHBondContact CB-O 3.27Å; A134-A139 PolarHBondContact O-N 2.75Å; A134-L141 HydrophobicContact CB-CD1 4.29Å; A134-L141 HydrophobicContact CB-CD2 3.64Å; A134-L141 HydrophobicContact CB-CG 3.82Å; A134-V211 HydrophobicContact CB-CG1 4.43Å; A134-V211 HydrophobicContact CB-CG2 4.41Å |
| 135 | M | 98.6 | Very high | 97.4 | Very high | 14 Ų | 14 | 28.7 Ų | 28.7 | 7% | 0.069 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -66 | -44.1 | 178.4 | -67.3 | -173 | 79.6 | 0 | 0 | 113 | I131 K132 I133 H137 G138 V211 K213 K214 P217 D221 L222 L225 | I131-M135 HydrophobicContact CG2-SD 4.44Å; I131-M135 WeakPolarHBondContact O-CG 3.3Å; I131-M135 PolarHBondContact O-N 3.43Å; K132-M135 PolarHBondContact O-N 3Å; I133-M135 VanDerWaalsContact C-N 3.34Å; I133-M135 PolarHBondContact O-N 3.18Å; M135-H137 PolarHBondContact O-N 2.98Å; M135-G138 PolarHBondContact O-N 3.45Å; M135-V211 HydrophobicContact CB-CG1 4.38Å; M135-V211 HydrophobicContact CG-CG1 3.92Å; M135-K213 CarbonylContact O-C 3.46Å; M135-K213 VanDerWaalsContact O-CA 3.3Å; M135-K213 WeakPolarHBondContact O-CA 3.34Å; M135-K214 CarbonylContact C-O 3.23Å; M135-K214 HydrophobicContact CE-CB 4.23Å; M135-K214 HydrophobicContact CE-CD 4.44Å; M135-K214 PolarHBondContact O-N 3.28Å; M135-P217 HydrophobicContact CB-CB 4.29Å; M135-P217 HydrophobicContact CB-CG 4.27Å; M135-P217 HydrophobicContact CE-CB 3.7Å; M135-P217 HydrophobicContact SD-CB 3.6Å; M135-P217 HydrophobicContact SD-CG 4.3Å; M135-D221 HydrophobicContact CE-CB 3.52Å; M135-D221 HydrophobicContact SD-CB 4.14Å; M135-L222 HydrophobicContact SD-CD2 3.8Å; M135-L225 HydrophobicContact CG-CD2 3.6Å; M135-L225 HydrophobicContact SD-CD2 4.02Å |
| 136 | E | 97.9 | Very high | 97.6 | Very high | 33 Ų | 33 | 27.4 Ų | 27.4 | 15% | 0.154 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58.1 | -33.8 | 179.3 | -77.3 | 175.7 | 176.2 | 0 | 0 | 111.8 | K86 K132 I133 K213 K214 | K86-E136 WeakPolarHBondContact CE-OE2 3.3Å; K86-E136 VanDerWaalsContact NZ-CD 3.33Å; K86-E136 IonicContact NZ-OE1 2.74Å; K86-E136 PolarHBondContact NZ-OE1 2.9Å; K86-E136 IonicContact NZ-OE2 3.17Å; K86-E136 PolarHBondContact NZ-OE2 2.89Å; K132-E136 WeakPolarHBondContact CE-OE1 3.41Å; K132-E136 HydrophobicContact CG-CG 4.41Å; K132-E136 WeakPolarHBondContact O-CB 3.1Å; K132-E136 VanDerWaalsContact O-CG 3.3Å; K132-E136 WeakPolarHBondContact O-CG 3.1Å; K132-E136 PolarHBondContact O-N 3.42Å; I133-E136 PolarHBondContact O-N 3.42Å; E136-K213 WeakPolarHBondContact O-CE 3.33Å; E136-K214 WeakPolarHBondContact CA-O 3.47Å |
| 137 | H | 98 | Very high | 97.8 | Very high | 40 Ų | 40 | 21.4 Ų | 21.4 | 19% | 0.185 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -103.9 | -8.7 | -177.9 | -65.2 | -72.2 | 0 | 0 | 0 | 114.9 | S90 L93 I133 A134 M135 | S90-H137 WeakPolarHBondContact CB-NE2 3.3Å; S90-H137 PolarHBondContact OG-NE2 3.02Å; L93-H137 HydrophobicContact CB-CB 3.84Å; L93-H137 HydrophobicContact CD1-CB 4.43Å; I133-H137 PolarHBondContact O-CD2 2.94Å; I133-H137 VanDerWaalsContact O-CD2 3.25Å; I133-H137 PolarHBondContact O-N 3.47Å; I133-H137 VanDerWaalsContact O-N 3.17Å; A134-H137 PolarHBondContact O-N 3.34Å; M135-H137 PolarHBondContact O-N 2.98Å |
| 138 | G | 97.9 | Very high | 97.7 | Very high | 22 Ų | 22 | 19 Ų | 19 | 23% | 0.227 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.3 | 26.9 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | A134 M135 | A134-G138 CarbonylContact O-C 3.6Å; A134-G138 WeakPolarHBondContact O-CA 3.47Å; A134-G138 PolarHBondContact O-N 3.3Å; M135-G138 PolarHBondContact O-N 3.45Å |
| 139 | A | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 10% | 0.1 | C | C | . | . | P | Polyproline II helix | trans | -81.9 | 131.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | N23 I25 L93 A134 V211 | N23-A139 HydrophobicContact CB-CB 4.26Å; N23-A139 CarbonylContact O-C 3.55Å; N23-A139 VanDerWaalsContact O-CA 3.26Å; N23-A139 WeakPolarHBondContact O-CA 3.23Å; I25-A139 HydrophobicContact CG1-CB 4.18Å; L93-A139 HydrophobicContact CD1-CB 4.22Å; L93-A139 HydrophobicContact CD2-CB 3.88Å; L93-A139 HydrophobicContact CG-CB 4.47Å; A134-A139 WeakPolarHBondContact CB-O 3.27Å; A134-A139 PolarHBondContact O-N 2.75Å; A139-V211 WeakPolarHBondContact O-CB 3.48Å; A139-V211 VanDerWaalsContact O-CG2 3.32Å; A139-V211 WeakPolarHBondContact O-CG2 3.46Å |
| 140 | H | 98.8 | Very high | 97.2 | Very high | 23 Ų | 23 | 14.4 Ų | 14.4 | 11% | 0.106 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 141.8 | 179.8 | -67.1 | -4.4 | 0 | 0 | 0 | 110.8 | N23 Y24 I25 I209 V211 | N23-H140 PolarHBondContact O-N 2.97Å; Y24-H140 CarbonylContact C-O 3.58Å; Y24-H140 VanDerWaalsContact CA-O 3.22Å; Y24-H140 WeakPolarHBondContact CA-O 3.41Å; Y24-H140 HydrophobicContact CD1-CB 3.68Å; Y24-H140 HydrophobicContact CE1-CB 3.71Å; I25-H140 PolarHBondContact N-O 3.06Å; H140-I209 WeakPolarHBondContact CA-O 3.03Å; H140-I209 WeakPolarHBondContact CB-O 3.48Å; H140-V211 PolarHBondContact ND1-N 3.37Å; H140-V211 VanDerWaalsContact ND1-N 3.2Å |
| 141 | L | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 141.7 | 178.9 | -70.7 | 166.1 | 0 | 0 | 0 | 109.5 | I25 F130 I131 A134 P208 I209 V211 L225 Y229 | I25-L141 HydrophobicContact CB-CD2 4.08Å; I25-L141 HydrophobicContact CG2-CD2 4.23Å; I25-L141 WeakPolarHBondContact O-CA 3.1Å; F130-L141 HydrophobicContact CD2-CD2 3.6Å; F130-L141 HydrophobicContact CE2-CD2 3.7Å; I131-L141 HydrophobicContact CD1-CD1 3.41Å; I131-L141 VanDerWaalsContact CD1-CD1 3.41Å; I131-L141 HydrophobicContact CD1-CD2 4.33Å; A134-L141 HydrophobicContact CB-CD1 4.29Å; A134-L141 HydrophobicContact CB-CD2 3.64Å; A134-L141 HydrophobicContact CB-CG 3.82Å; L141-P208 CarbonylContact O-C 3.5Å; L141-P208 WeakPolarHBondContact O-CA 3.47Å; L141-I209 HydrophobicContact CB-CB 4.18Å; L141-I209 PolarHBondContact N-O 3.38Å; L141-I209 PolarHBondContact O-N 3.28Å; L141-V211 HydrophobicContact CB-CG2 4.44Å; L141-V211 HydrophobicContact CD1-CG2 4.07Å; L141-V211 HydrophobicContact CG-CG2 3.93Å; L141-L225 HydrophobicContact CD1-CD1 4.08Å; L141-L225 HydrophobicContact CD1-CD2 3.94Å; L141-L225 HydrophobicContact CD1-CG 3.87Å; L141-Y229 HydrophobicContact CB-CD2 4.01Å; L141-Y229 HydrophobicContact CB-CE2 4.37Å; L141-Y229 HydrophobicContact CD1-CD2 4.22Å |
| 142 | V | 98.8 | Very high | 96 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 114.4 | 174.3 | -175.2 | 0 | 0 | 0 | 0 | 108 | L18 Y24 I25 L26 G27 V144 V205 G206 P208 | L18-V142 HydrophobicContact CD1-CG2 4.39Å; L18-V142 HydrophobicContact CD2-CG2 3.96Å; Y24-V142 HydrophobicContact CD1-CG2 3.68Å; Y24-V142 HydrophobicContact CE1-CG2 4.43Å; Y24-V142 HydrophobicContact CG-CG2 4.39Å; I25-V142 PolarHBondContact O-N 3.22Å; L26-V142 WeakPolarHBondContact CA-O 3.31Å; L26-V142 HydrophobicContact CD1-CB 4.19Å; L26-V142 HydrophobicContact CD1-CG2 4.19Å; L26-V142 HydrophobicContact CG-CB 4.04Å; L26-V142 HydrophobicContact CG-CG1 4.43Å; G27-V142 PolarHBondContact N-O 3.09Å; V142-V144 HydrophobicContact CG1-CG2 4.33Å; V142-V205 HydrophobicContact CG1-CG1 3.61Å; V142-G206 WeakPolarHBondContact CG1-O 2.96Å; V142-P208 HydrophobicContact CG2-CB 4.26Å |
| 143 | P | 98.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 134.2 | 171.7 | 28 | -30.1 | 0 | 0 | 0 | 109.4 | G206 R207 Y229 E232 L233 L236 | P143-G206 WeakPolarHBondContact O-CA 3.5Å; P143-G206 PolarHBondContact O-N 2.91Å; P143-R207 WeakPolarHBondContact CD-O 3.36Å; P143-Y229 HydrophobicContact CB-CE2 4.07Å; P143-E232 HydrophobicContact CG-CB 4.15Å; P143-L233 HydrophobicContact CB-CB 4.02Å; P143-L233 HydrophobicContact CB-CD1 3.96Å; P143-L236 HydrophobicContact CB-CD2 4.4Å; P143-L236 WeakPolarHBondContact O-CD2 3.09Å |
| 144 | V | 98.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 124.7 | 178 | -179.5 | 0 | 0 | 0 | 0 | 108.3 | L26 G27 F28 H29 F42 V142 T203 V204 V205 | L26-V144 HydrophobicContact CB-CG2 3.97Å; L26-V144 HydrophobicContact CD2-CG2 4.33Å; L26-V144 HydrophobicContact CG-CG2 4.11Å; G27-V144 WeakPolarHBondContact O-CB 3.35Å; G27-V144 PolarHBondContact O-N 3.07Å; F28-V144 HydrophobicContact CD2-CB 4.49Å; F28-V144 HydrophobicContact CD2-CG1 3.79Å; F28-V144 HydrophobicContact CE2-CG1 4.42Å; H29-V144 PolarHBondContact CD2-O 2.78Å; H29-V144 PolarHBondContact N-O 3.44Å; F42-V144 HydrophobicContact CZ-CG1 4.15Å; V142-V144 HydrophobicContact CG1-CG2 4.33Å; V144-T203 HydrophobicContact CG1-CG2 3.38Å; V144-V204 WeakPolarHBondContact CA-O 3.43Å; V144-V205 HydrophobicContact CG1-CG2 4.42Å; V144-V205 HydrophobicContact CG2-CG1 4.27Å; V144-V205 HydrophobicContact CG2-CG2 4.38Å |
| 145 | F | 98.3 | Very high | 93.6 | Very high | 4 Ų | 4 | 14.2 Ų | 14.2 | 2% | 0.018 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 134.1 | 177.8 | -165.8 | -89.9 | 0 | 0 | 0 | 111.4 | H29 F120 V122 F147 T203 V204 L233 L236 F237 L252 | H29-F145 HydrophobicContact CB-CD2 4.06Å; H29-F145 HydrophobicContact CB-CE2 4.44Å; H29-F145 CarbonylContact O-C 3.59Å; H29-F145 VanDerWaalsContact O-CA 3.31Å; H29-F145 WeakPolarHBondContact O-CA 3.42Å; F120-F145 HydrophobicContact CD1-CZ 4.18Å; V122-F145 HydrophobicContact CG2-CE2 4.22Å; F145-F147 HydrophobicContact CD1-CD1 4.03Å; F145-F147 AromaticContact CD1-CD2 3.75Å; F145-F147 HydrophobicContact CD1-CD2 3.75Å; F145-F147 AromaticContact CD1-CE1 3.83Å; F145-F147 HydrophobicContact CD1-CE1 3.83Å; F145-F147 AromaticContact CD1-CE2 3.56Å; F145-F147 HydrophobicContact CD1-CE2 3.56Å; F145-F147 AromaticContact CD1-CG 3.99Å; F145-F147 HydrophobicContact CD1-CG 3.99Å; F145-F147 AromaticContact CD1-CZ 3.6Å; F145-F147 HydrophobicContact CD1-CZ 3.6Å; F145-F147 AromaticContact CE1-CD1 3.65Å; F145-F147 HydrophobicContact CE1-CD1 3.65Å; F145-F147 HydrophobicContact CE1-CD2 4.2Å; F145-F147 AromaticContact CE1-CE1 3.62Å; F145-F147 HydrophobicContact CE1-CE1 3.62Å; F145-F147 HydrophobicContact CE1-CE2 4.19Å; F145-F147 AromaticContact CE1-CG 3.94Å; F145-F147 HydrophobicContact CE1-CG 3.94Å; F145-F147 AromaticContact CE1-CZ 3.91Å; F145-F147 HydrophobicContact CE1-CZ 3.91Å; F145-T203 CarbonylContact O-C 3.38Å; F145-T203 WeakPolarHBondContact O-CA 3.2Å; F145-V204 PolarHBondContact N-O 3.19Å; F145-V204 PolarHBondContact O-N 3.32Å; F145-L233 HydrophobicContact CB-CD1 4.24Å; F145-L233 HydrophobicContact CD2-CD1 4.3Å; F145-L236 HydrophobicContact CB-CD2 4.33Å; F145-F237 AromaticContact CD1-CD2 3.84Å; F145-F237 HydrophobicContact CD1-CD2 3.84Å; F145-F237 HydrophobicContact CD1-CE2 4.46Å; F145-F237 HydrophobicContact CD2-CD2 4.32Å; F145-F237 AromaticContact CE1-CD2 3.49Å; F145-F237 HydrophobicContact CE1-CD2 3.49Å; F145-F237 VanDerWaalsContact CE1-CD2 3.49Å; F145-F237 AromaticContact CE1-CE2 3.69Å; F145-F237 HydrophobicContact CE1-CE2 3.69Å; F145-F237 HydrophobicContact CE2-CD2 4.03Å; F145-F237 HydrophobicContact CE2-CE2 4.48Å; F145-F237 HydrophobicContact CG-CD2 4.24Å; F145-F237 AromaticContact CZ-CD2 3.59Å; F145-F237 HydrophobicContact CZ-CD2 3.59Å; F145-F237 AromaticContact CZ-CE2 3.7Å; F145-F237 HydrophobicContact CZ-CE2 3.7Å; F145-L252 HydrophobicContact CD2-CD1 4.2Å; F145-L252 HydrophobicContact CD2-CD2 4.21Å; F145-L252 HydrophobicContact CE2-CD1 4.19Å; F145-L252 HydrophobicContact CE2-CD2 3.4Å; F145-L252 HydrophobicContact CE2-CG 4.42Å; F145-L252 HydrophobicContact CZ-CD2 3.8Å |
| 146 | S | 97.3 | Very high | 92.8 | Very high | 2 Ų | 2 | 16.8 Ų | 16.8 | 1% | 0.014 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 101.4 | -176.6 | -162.1 | 0 | 0 | 0 | 0 | 111 | H29 E149 I201 Y202 T203 | H29-S146 PolarHBondContact O-N 2.87Å; S146-E149 WeakPolarHBondContact O-CB 3.42Å; S146-E149 PolarHBondContact OG-OE2 3.47Å; S146-I201 WeakPolarHBondContact OG-CG2 3.17Å; S146-Y202 CarbonylContact C-O 3.6Å; S146-Y202 WeakPolarHBondContact CA-O 3.04Å; S146-T203 PolarHBondContact OG-OG1 3.25Å |
| 147 | F | 95.9 | Very high | 92.1 | Very high | 7 Ų | 7 | 23 Ų | 23 | 3% | 0.031 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 134.2 | 173.2 | -62.5 | -87.7 | 0 | 0 | 0 | 109.9 | F145 E149 I201 Y202 V204 F237 H240 K241 Y244 V246 | F145-F147 HydrophobicContact CD1-CD1 4.03Å; F145-F147 AromaticContact CD1-CD2 3.75Å; F145-F147 HydrophobicContact CD1-CD2 3.75Å; F145-F147 AromaticContact CD1-CE1 3.83Å; F145-F147 HydrophobicContact CD1-CE1 3.83Å; F145-F147 AromaticContact CD1-CE2 3.56Å; F145-F147 HydrophobicContact CD1-CE2 3.56Å; F145-F147 AromaticContact CD1-CG 3.99Å; F145-F147 HydrophobicContact CD1-CG 3.99Å; F145-F147 AromaticContact CD1-CZ 3.6Å; F145-F147 HydrophobicContact CD1-CZ 3.6Å; F145-F147 AromaticContact CE1-CD1 3.65Å; F145-F147 HydrophobicContact CE1-CD1 3.65Å; F145-F147 HydrophobicContact CE1-CD2 4.2Å; F145-F147 AromaticContact CE1-CE1 3.62Å; F145-F147 HydrophobicContact CE1-CE1 3.62Å; F145-F147 HydrophobicContact CE1-CE2 4.19Å; F145-F147 AromaticContact CE1-CG 3.94Å; F145-F147 HydrophobicContact CE1-CG 3.94Å; F145-F147 AromaticContact CE1-CZ 3.91Å; F145-F147 HydrophobicContact CE1-CZ 3.91Å; F147-E149 VanDerWaalsContact C-N 3.34Å; F147-I201 WeakPolarHBondContact O-CA 3.29Å; F147-Y202 PolarHBondContact N-O 2.87Å; F147-Y202 PolarHBondContact O-N 2.86Å; F147-V204 HydrophobicContact CD2-CG2 4.18Å; F147-V204 HydrophobicContact CE2-CG2 3.98Å; F147-F237 HydrophobicContact CD1-CE2 4.37Å; F147-F237 AromaticContact CE1-CD2 3.59Å; F147-F237 HydrophobicContact CE1-CD2 3.59Å; F147-F237 AromaticContact CE1-CE2 3.53Å; F147-F237 HydrophobicContact CE1-CE2 3.53Å; F147-F237 HydrophobicContact CE1-CZ 4.48Å; F147-F237 AromaticContact CZ-CD2 3.77Å; F147-F237 HydrophobicContact CZ-CD2 3.77Å; F147-F237 HydrophobicContact CZ-CE2 4.19Å; F147-H240 HydrophobicContact CE2-CB 3.92Å; F147-H240 HydrophobicContact CZ-CB 4.1Å; F147-K241 HydrophobicContact CE1-CB 3.88Å; F147-K241 HydrophobicContact CZ-CB 4.21Å; F147-Y244 HydrophobicContact CB-CD2 4.06Å; F147-Y244 HydrophobicContact CB-CG 4.06Å; F147-Y244 HydrophobicContact CD1-CD2 4.07Å; F147-Y244 AromaticContact CD2-CD2 3.2Å; F147-Y244 HydrophobicContact CD2-CD2 3.2Å; F147-Y244 AromaticContact CD2-CE2 3.55Å; F147-Y244 HydrophobicContact CD2-CE2 3.55Å; F147-Y244 HydrophobicContact CD2-CG 4.07Å; F147-Y244 HydrophobicContact CE1-CD2 4.34Å; F147-Y244 AromaticContact CE2-CD2 3.52Å; F147-Y244 HydrophobicContact CE2-CD2 3.52Å; F147-Y244 AromaticContact CE2-CE2 3.74Å; F147-Y244 HydrophobicContact CE2-CE2 3.74Å; F147-Y244 AromaticContact CG-CD2 3.51Å; F147-Y244 HydrophobicContact CG-CD2 3.51Å; F147-Y244 HydrophobicContact CG-CE2 4.28Å; F147-Y244 AromaticContact CG-CG 3.97Å; F147-Y244 HydrophobicContact CG-CG 3.97Å; F147-Y244 HydrophobicContact CZ-CD2 4.09Å; F147-V246 HydrophobicContact CD1-CG2 4.07Å; F147-V246 HydrophobicContact CE1-CG2 4.28Å |
| 148 | G | 92.6 | Very high | 91.4 | Very high | 21 Ų | 21 | 21.2 Ų | 21.2 | 22% | 0.216 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.3 | -2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | N150 E151 | G148-N150 PolarHBondContact O-N 3.03Å; G148-E151 VanDerWaalsContact O-CB 3.32Å; G148-E151 WeakPolarHBondContact O-CB 3.32Å; G148-E151 PolarHBondContact O-N 3.4Å |
| 149 | E | 91.4 | Very high | 90.9 | Very high | 4 Ų | 4 | 23.8 Ų | 23.8 | 2% | 0.019 | 13% | 0.129 | C | C | . | . | G | 310 helix | trans | -61.8 | -39.6 | -178.2 | -166.6 | 68.1 | -150.6 | 0 | 0 | 113.1 | F28 P30 V35 A36 G37 S146 F147 E151 V152 | F28-E149 HydrophobicContact CE1-CG 4.25Å; F28-E149 HydrophobicContact CZ-CG 4.38Å; P30-E149 HydrophobicContact CG-CB 3.99Å; P30-E149 HydrophobicContact CG-CG 4.36Å; V35-E149 WeakPolarHBondContact CA-OE1 3.44Å; A36-E149 PolarHBondContact N-OE1 2.8Å; G37-E149 VanDerWaalsContact CA-OE2 3.23Å; G37-E149 WeakPolarHBondContact CA-OE2 3.41Å; G37-E149 PolarHBondContact N-OE1 2.85Å; G37-E149 PolarHBondContact N-OE2 3.21Å; S146-E149 WeakPolarHBondContact O-CB 3.42Å; S146-E149 PolarHBondContact OG-OE2 3.47Å; F147-E149 VanDerWaalsContact C-N 3.34Å; E149-E151 PolarHBondContact O-N 3.49Å; E149-V152 VanDerWaalsContact O-CG2 3.29Å; E149-V152 WeakPolarHBondContact O-CG2 3.1Å |
| 150 | N | 89.8 | Confident | 90.2 | Very high | 12 Ų | 12 | 31.8 Ų | 31.8 | 6% | 0.064 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -79.5 | -6.1 | 176.4 | -71.5 | -16.1 | 0 | 0 | 0 | 113 | G32 T119 G148 | G32-N150 WeakPolarHBondContact CA-OD1 3.45Å; T119-N150 PolarHBondContact O-ND2 3.26Å; G148-N150 PolarHBondContact O-N 3.03Å |
| 151 | E | 86.8 | Confident | 89.5 | Confident | 45 Ų | 45 | 34.9 Ų | 34.9 | 21% | 0.21 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -90.6 | -17 | -173.7 | -58.4 | -61.9 | 138.4 | 0 | 0 | 112.7 | P117 G118 G148 E149 Y153 R199 | P117-E151 VanDerWaalsContact CA-OE1 3.29Å; P117-E151 WeakPolarHBondContact CA-OE1 3.45Å; G118-E151 PolarHBondContact N-OE1 3.48Å; G148-E151 VanDerWaalsContact O-CB 3.32Å; G148-E151 WeakPolarHBondContact O-CB 3.32Å; G148-E151 PolarHBondContact O-N 3.4Å; E149-E151 PolarHBondContact O-N 3.49Å; E151-Y153 VanDerWaalsContact C-N 3.31Å; E151-Y153 PolarHBondContact O-N 2.9Å; E151-R199 HydrophobicContact CB-CB 4.38Å; E151-R199 WeakPolarHBondContact O-CD 3.18Å; E151-R199 PolarHBondContact O-NE 3.49Å; E151-R199 IonicContact OE2-CZ 2.61Å; E151-R199 IonicContact OE2-NH1 3.51Å; E151-R199 PolarHBondContact OE2-NH1 2.8Å |
| 152 | V | 83.9 | Confident | 89.1 | Confident | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.006 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -78.9 | -12.7 | -173.2 | -69.8 | 0 | 0 | 0 | 0 | 114.3 | A36 E149 P196 Y197 I201 | A36-V152 HydrophobicContact CB-CG2 4.36Å; E149-V152 VanDerWaalsContact O-CG2 3.29Å; E149-V152 WeakPolarHBondContact O-CG2 3.1Å; V152-P196 HydrophobicContact CB-CB 3.94Å; V152-P196 WeakPolarHBondContact O-CA 3.49Å; V152-Y197 WeakPolarHBondContact O-CD2 3.48Å; V152-Y197 PolarHBondContact O-N 3.38Å; V152-I201 HydrophobicContact CG1-CD1 3.63Å; V152-I201 HydrophobicContact CG1-CG1 3.89Å; V152-I201 HydrophobicContact CG2-CD1 4.46Å |
| 153 | Y | 81.3 | Confident | 88.6 | Confident | 14 Ų | 14 | 46.7 Ų | 46.7 | 6% | 0.055 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -136.2 | 141.7 | 174.7 | -61.5 | -77.4 | 0 | 0 | 0 | 110.2 | V33 L34 E151 F182 A184 P196 | V33-Y153 HydrophobicContact CB-CD2 3.91Å; V33-Y153 HydrophobicContact CB-CG 4.33Å; V33-Y153 HydrophobicContact CG1-CD2 4.48Å; V33-Y153 HydrophobicContact CG2-CD2 4.37Å; V33-Y153 HydrophobicContact CG2-CG 4.49Å; L34-Y153 HydrophobicContact CB-CE2 4.11Å; L34-Y153 HydrophobicContact CD1-CE1 4.42Å; L34-Y153 HydrophobicContact CD1-CE2 4.27Å; L34-Y153 HydrophobicContact CG-CE2 4.3Å; E151-Y153 VanDerWaalsContact C-N 3.31Å; E151-Y153 PolarHBondContact O-N 2.9Å; Y153-F182 AromaticContact CD1-CD2 3.48Å; Y153-F182 HydrophobicContact CD1-CD2 3.48Å; Y153-F182 VanDerWaalsContact CD1-CD2 3.48Å; Y153-F182 AromaticContact CD1-CE2 3.68Å; Y153-F182 HydrophobicContact CD1-CE2 3.68Å; Y153-F182 HydrophobicContact CE1-CD2 4.13Å; Y153-F182 AromaticContact CE1-CE2 3.83Å; Y153-F182 HydrophobicContact CE1-CE2 3.83Å; Y153-F182 AromaticContact CG-CD2 3.93Å; Y153-F182 HydrophobicContact CG-CD2 3.93Å; Y153-F182 HydrophobicContact CG-CE2 4.33Å; Y153-A184 HydrophobicContact CD1-CB 3.61Å; Y153-A184 HydrophobicContact CE1-CB 4.06Å; Y153-P196 HydrophobicContact CE1-CB 3.95Å; Y153-P196 HydrophobicContact CE2-CB 4.19Å; Y153-P196 WeakPolarHBondContact OH-CD 3.36Å; Y153-P196 WeakPolarHBondContact OH-CG 3.43Å |
| 154 | D | 80.4 | Confident | 88 | Confident | 42 Ų | 42 | 48.7 Ų | 48.7 | 23% | 0.225 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 120 | 166.3 | -66.2 | -34.8 | 0 | 0 | 0 | 108.1 | F182 H183 Y197 | D154-F182 CarbonylContact O-C 3.57Å; D154-F182 WeakPolarHBondContact O-CA 3.04Å; D154-F182 WeakPolarHBondContact O-CB 3.45Å; D154-H183 PolarHBondContact N-O 2.9Å; D154-H183 PolarHBondContact O-N 3.17Å; D154-H183 IonicContact OD2-CE1 3.5Å; D154-Y197 HydrophobicContact CB-CE2 4.28Å; D154-Y197 WeakPolarHBondContact OD2-CE2 3.38Å; D154-Y197 VanDerWaalsContact OD2-CZ 3.24Å; D154-Y197 PolarHBondContact OD2-OH 3.09Å |
| 155 | Q | 82.8 | Confident | 87.5 | Confident | 15 Ų | 15 | 49.1 Ų | 49.1 | 7% | 0.07 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 132.5 | 174.4 | -169 | -177.8 | -25.4 | 0 | 0 | 110 | A112 L113 A115 E157 N158 P180 | A112-Q155 PolarHBondContact O-OE1 3.33Å; L113-Q155 VanDerWaalsContact C-NE2 3.32Å; L113-Q155 PolarHBondContact O-NE2 3.25Å; A115-Q155 VanDerWaalsContact N-OE1 3.12Å; A115-Q155 PolarHBondContact O-OE1 2.79Å; Q155-E157 PolarHBondContact O-N 3.44Å; Q155-N158 PolarHBondContact NE2-ND2 3.5Å; Q155-N158 PolarHBondContact NE2-OD1 2.77Å; Q155-P180 HydrophobicContact CG-CB 4.49Å |
| 156 | V | 82.4 | Confident | 87 | Confident | 67 Ų | 67 | 55.7 Ų | 55.7 | 41% | 0.406 | 29% | 0.289 | S | S | . | . | P | Polyproline II helix | trans | -59.6 | 132.1 | 172.3 | 178.3 | 0 | 0 | 0 | 0 | 108.9 | N158 L164 L181 | V156-N158 PolarHBondContact O-N 3.03Å; V156-N158 PolarHBondContact O-OD1 3.06Å; V156-L164 HydrophobicContact CG1-CD2 4.44Å; V156-L181 HydrophobicContact CB-CB 4.08Å; V156-L181 WeakPolarHBondContact CB-O 3.35Å; V156-L181 HydrophobicContact CG2-CB 4.02Å; V156-L181 WeakPolarHBondContact CG2-O 3.34Å; V156-L181 PolarHBondContact N-O 2.94Å |
| 157 | E | 82.4 | Confident | 86.4 | Confident | 164 Ų | 164 | 57.3 Ų | 57.3 | 77% | 0.766 | 30% | 0.299 | S | S | * | . | P | Polyproline II helix | trans | -54.4 | 124.4 | 178.5 | -68.1 | -175.3 | 179.4 | 0 | 0 | 111.4 | Q155 | Q155-E157 PolarHBondContact O-N 3.44Š|
| 158 | N | 84.4 | Confident | 86 | Confident | 3 Ų | 3 | 57.3 Ų | 57.3 | 2% | 0.016 | 30% | 0.299 | C | S | . | . | trans | -136.7 | 57.8 | -178.5 | 62.4 | -36.4 | 0 | 0 | 0 | 111.1 | L113 H116 Q155 V156 L164 R165 Q168 | L113-N158 PolarHBondContact O-ND2 3.43Å; L113-N158 PolarHBondContact O-OD1 3.47Å; H116-N158 PolarHBondContact CE1-OD1 3.23Å; H116-N158 PolarHBondContact NE2-OD1 3.21Å; H116-N158 VanDerWaalsContact NE2-OD1 3.15Å; Q155-N158 PolarHBondContact NE2-ND2 3.5Å; Q155-N158 PolarHBondContact NE2-OD1 2.77Å; V156-N158 PolarHBondContact O-N 3.03Å; V156-N158 PolarHBondContact O-OD1 3.06Å; N158-L164 HydrophobicContact CB-CD2 3.97Å; N158-L164 HydrophobicContact CB-CG 4.25Å; N158-R165 PolarHBondContact ND2-NH1 2.85Å; N158-R165 WeakPolarHBondContact O-CB 3.45Å; N158-Q168 PolarHBondContact ND2-OE1 3.49Å | ||
| 159 | P | 86.7 | Confident | 85.7 | Confident | 76 Ų | 76 | 59.3 Ų | 59.3 | 49% | 0.494 | 31% | 0.305 | S | S | . | . | trans | -61 | 147.5 | -176.9 | 21.3 | -27.4 | 0 | 0 | 0 | 111.7 | G161 T162 R165 | P159-G161 PolarHBondContact O-N 2.62Å; P159-T162 HydrophobicContact CB-CG2 4.48Å; P159-T162 HydrophobicContact CG-CG2 3.64Å; P159-T162 WeakPolarHBondContact O-CB 3.11Å; P159-T162 WeakPolarHBondContact O-CG2 3.11Å; P159-T162 PolarHBondContact O-N 3.17Å; P159-T162 VanDerWaalsContact O-N 3.14Å; P159-T162 PolarHBondContact O-OG1 2.9Å; P159-R165 WeakPolarHBondContact O-CB 3.47Å | ||
| 160 | K | 84.6 | Confident | 85.4 | Confident | 168 Ų | 168 | 66.3 Ų | 66.3 | 73% | 0.73 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | 136.3 | 177.2 | -68.7 | -176.3 | -179.3 | 176.1 | 0 | 110.3 | R165 | K160-R165 HydrophobicContact CG-CG 4.47Š|
| 161 | G | 84.6 | Confident | 85 | Confident | 87 Ų | 87 | 68.9 Ų | 68.9 | 90% | 0.897 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.3 | -10 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | P159 | P159-G161 PolarHBondContact O-N 2.62Š|
| 162 | T | 89.9 | Confident | 84.9 | Confident | 48 Ų | 48 | 68.2 Ų | 68.2 | 29% | 0.294 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -77.9 | 155.8 | 171.1 | 61.2 | 0 | 0 | 0 | 0 | 112.3 | P159 L164 R165 W166 | P159-T162 HydrophobicContact CB-CG2 4.48Å; P159-T162 HydrophobicContact CG-CG2 3.64Å; P159-T162 WeakPolarHBondContact O-CB 3.11Å; P159-T162 WeakPolarHBondContact O-CG2 3.11Å; P159-T162 PolarHBondContact O-N 3.17Å; P159-T162 VanDerWaalsContact O-N 3.14Å; P159-T162 PolarHBondContact O-OG1 2.9Å; T162-L164 VanDerWaalsContact C-N 3.29Å; T162-L164 PolarHBondContact O-N 3.17Å; T162-R165 PolarHBondContact O-N 3.34Å; T162-R165 WeakPolarHBondContact OG1-CB 3.34Å; T162-R165 PolarHBondContact OG1-N 2.83Å; T162-W166 WeakPolarHBondContact O-CB 3.38Å; T162-W166 PolarHBondContact O-N 2.83Å |
| 163 | W | 88.5 | Confident | 84.7 | Confident | 200 Ų | 200 | 71.4 Ų | 71.4 | 76% | 0.758 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -62 | -36.9 | 174.9 | 179.7 | 81.1 | 0 | 0 | 0 | 112.7 | T167 | W163-T167 WeakPolarHBondContact O-CB 3.25Å; W163-T167 PolarHBondContact O-N 3.23Å; W163-T167 PolarHBondContact O-OG1 3.32Å |
| 164 | L | 86.5 | Confident | 84.5 | Confident | 43 Ų | 43 | 76.5 Ų | 76.5 | 23% | 0.225 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -60.5 | -52.4 | 175 | 174.8 | 59.4 | 0 | 0 | 0 | 110.5 | V156 N158 T162 W166 T167 Q168 L181 | V156-L164 HydrophobicContact CG1-CD2 4.44Å; N158-L164 HydrophobicContact CB-CD2 3.97Å; N158-L164 HydrophobicContact CB-CG 4.25Å; T162-L164 VanDerWaalsContact C-N 3.29Å; T162-L164 PolarHBondContact O-N 3.17Å; L164-W166 PolarHBondContact O-N 3.18Å; L164-T167 PolarHBondContact O-N 3.43Å; L164-T167 VanDerWaalsContact O-N 3.16Å; L164-Q168 HydrophobicContact CD1-CG 4.22Å; L164-Q168 WeakPolarHBondContact O-CG 3.48Å; L164-Q168 PolarHBondContact O-N 3.06Å; L164-L181 HydrophobicContact CD1-CD1 3.74Å; L164-L181 HydrophobicContact CD2-CD1 4.19Å |
| 165 | R | 87.8 | Confident | 84.1 | Confident | 9 Ų | 9 | 78.9 Ų | 78.9 | 3% | 0.034 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -63.3 | -42.1 | -179.4 | -173.6 | 54.5 | -177.1 | -122.7 | 2.3 | 112 | L113 D114 N158 P159 K160 T162 T167 Q168 D169 | L113-R165 PolarHBondContact O-NH1 3.15Å; D114-R165 IonicContact OD1-CZ 3.39Å; D114-R165 IonicContact OD1-NH1 3.66Å; D114-R165 PolarHBondContact OD1-NH1 2.87Å; D114-R165 IonicContact OD1-NH2 2.75Å; D114-R165 PolarHBondContact OD1-NH2 2.7Å; D114-R165 IonicContact OD2-CZ 2.84Å; D114-R165 IonicContact OD2-NH1 3.47Å; D114-R165 IonicContact OD2-NH2 3.51Å; D114-R165 PolarHBondContact OD2-NH2 2.76Å; N158-R165 PolarHBondContact ND2-NH1 2.85Å; N158-R165 WeakPolarHBondContact O-CB 3.45Å; P159-R165 WeakPolarHBondContact O-CB 3.47Å; K160-R165 HydrophobicContact CG-CG 4.47Å; T162-R165 PolarHBondContact O-N 3.34Å; T162-R165 WeakPolarHBondContact OG1-CB 3.34Å; T162-R165 PolarHBondContact OG1-N 2.83Å; R165-T167 VanDerWaalsContact C-N 3.28Å; R165-T167 PolarHBondContact O-N 3.36Å; R165-Q168 PolarHBondContact O-N 2.81Å; R165-D169 IonicContact CZ-OD1 3.72Å; R165-D169 IonicContact NE-OD1 3.49Å; R165-D169 PolarHBondContact NE-OD1 3.02Å; R165-D169 IonicContact NE-OD2 3.87Å; R165-D169 PolarHBondContact NE-OD2 3.47Å; R165-D169 IonicContact NH2-OD1 2.84Å; R165-D169 WeakPolarHBondContact O-CB 3.32Å; R165-D169 VanDerWaalsContact O-CG 3.26Å; R165-D169 PolarHBondContact O-N 3.02Å |
| 166 | W | 87 | Confident | 83.6 | Confident | 142 Ų | 142 | 80.2 Ų | 80.2 | 54% | 0.538 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -56.2 | -42.8 | 174.3 | 178.4 | 89.3 | 0 | 0 | 0 | 112.4 | T162 L164 R170 | T162-W166 WeakPolarHBondContact O-CB 3.38Å; T162-W166 PolarHBondContact O-N 2.83Å; L164-W166 PolarHBondContact O-N 3.18Å; W166-R170 VanDerWaalsContact O-CB 3.29Å; W166-R170 WeakPolarHBondContact O-CB 3.45Å; W166-R170 PolarHBondContact O-N 2.71Å |
| 167 | T | 85.3 | Confident | 83.2 | Confident | 35 Ų | 35 | 78.4 Ų | 78.4 | 22% | 0.215 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -66.7 | -45 | 178 | -56.7 | 0 | 0 | 0 | 0 | 111.2 | W163 L164 R165 R170 L171 | W163-T167 WeakPolarHBondContact O-CB 3.25Å; W163-T167 PolarHBondContact O-N 3.23Å; W163-T167 PolarHBondContact O-OG1 3.32Å; L164-T167 PolarHBondContact O-N 3.43Å; L164-T167 VanDerWaalsContact O-N 3.16Å; R165-T167 VanDerWaalsContact C-N 3.28Å; R165-T167 PolarHBondContact O-N 3.36Å; T167-R170 PolarHBondContact O-N 2.73Å; T167-L171 HydrophobicContact CG2-CD1 4.07Å; T167-L171 HydrophobicContact CG2-CG 4.41Å; T167-L171 WeakPolarHBondContact O-CB 3.5Å; T167-L171 VanDerWaalsContact O-CG 3.31Å; T167-L171 WeakPolarHBondContact O-CG 3.12Å; T167-L171 PolarHBondContact O-N 3.06Å |
| 168 | Q | 86.1 | Confident | 82.8 | Confident | 8 Ų | 8 | 71.5 Ų | 71.5 | 4% | 0.037 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -61.3 | -46.9 | 177.2 | -71.5 | 176.1 | -46.3 | 0 | 0 | 111.8 | L113 N158 L164 R165 R170 L171 Q172 L179 | L113-Q168 HydrophobicContact CD1-CB 4.12Å; L113-Q168 HydrophobicContact CD2-CB 4.18Å; L113-Q168 HydrophobicContact CD2-CG 4.38Å; N158-Q168 PolarHBondContact ND2-OE1 3.49Å; L164-Q168 HydrophobicContact CD1-CG 4.22Å; L164-Q168 WeakPolarHBondContact O-CG 3.48Å; L164-Q168 PolarHBondContact O-N 3.06Å; R165-Q168 PolarHBondContact O-N 2.81Å; Q168-R170 PolarHBondContact O-N 2.74Å; Q168-L171 PolarHBondContact O-N 3.46Å; Q168-Q172 VanDerWaalsContact O-CB 3.29Å; Q168-Q172 WeakPolarHBondContact O-CB 3.46Å; Q168-Q172 PolarHBondContact O-N 3.08Å; Q168-L179 PolarHBondContact NE2-O 3.4Å |
| 169 | D | 86.4 | Confident | 82.4 | Confident | 63 Ų | 63 | 75.6 Ų | 75.6 | 34% | 0.337 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -62.7 | -42.2 | 178.6 | -69.1 | -22.7 | 0 | 0 | 0 | 111.1 | R165 Q172 G173 | R165-D169 IonicContact CZ-OD1 3.72Å; R165-D169 IonicContact NE-OD1 3.49Å; R165-D169 PolarHBondContact NE-OD1 3.02Å; R165-D169 IonicContact NE-OD2 3.87Å; R165-D169 PolarHBondContact NE-OD2 3.47Å; R165-D169 IonicContact NH2-OD1 2.84Å; R165-D169 WeakPolarHBondContact O-CB 3.32Å; R165-D169 VanDerWaalsContact O-CG 3.26Å; R165-D169 PolarHBondContact O-N 3.02Å; D169-Q172 PolarHBondContact O-N 3.48Å; D169-G173 PolarHBondContact O-N 3.2Å |
| 170 | R | 85.1 | Confident | 81.9 | Confident | 151 Ų | 151 | 72.8 Ų | 72.8 | 57% | 0.57 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -63.7 | -46.6 | 176.7 | -175.8 | 175.3 | 179.8 | 96.5 | 0.4 | 111.9 | W166 T167 Q168 Q172 G173 I174 | W166-R170 VanDerWaalsContact O-CB 3.29Å; W166-R170 WeakPolarHBondContact O-CB 3.45Å; W166-R170 PolarHBondContact O-N 2.71Å; T167-R170 PolarHBondContact O-N 2.73Å; Q168-R170 PolarHBondContact O-N 2.74Å; R170-Q172 VanDerWaalsContact C-N 3.34Å; R170-G173 PolarHBondContact O-N 2.9Å; R170-I174 HydrophobicContact CG-CD1 4.1Å; R170-I174 WeakPolarHBondContact O-CG1 3.28Å; R170-I174 PolarHBondContact O-N 2.82Å; R170-I174 VanDerWaalsContact O-N 3.17Å |
| 171 | L | 82.4 | Confident | 81.5 | Confident | 65 Ų | 65 | 69.1 Ų | 69.1 | 34% | 0.34 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -63.5 | -41.4 | 177.9 | -77.7 | -178.9 | 0 | 0 | 0 | 111.5 | T167 Q168 I174 M175 L179 | T167-L171 HydrophobicContact CG2-CD1 4.07Å; T167-L171 HydrophobicContact CG2-CG 4.41Å; T167-L171 WeakPolarHBondContact O-CB 3.5Å; T167-L171 VanDerWaalsContact O-CG 3.31Å; T167-L171 WeakPolarHBondContact O-CG 3.12Å; T167-L171 PolarHBondContact O-N 3.06Å; Q168-L171 PolarHBondContact O-N 3.46Å; L171-I174 PolarHBondContact O-N 2.86Å; L171-M175 HydrophobicContact CB-CE 3.65Å; L171-M175 HydrophobicContact CD1-CE 4.44Å; L171-M175 HydrophobicContact CD2-CE 3.9Å; L171-M175 HydrophobicContact CG-CE 4.19Å; L171-M175 WeakPolarHBondContact O-CB 3.49Å; L171-M175 PolarHBondContact O-N 2.9Å; L171-L179 HydrophobicContact CD1-CD1 4.25Å |
| 172 | Q | 84.2 | Confident | 81.2 | Confident | 31 Ų | 31 | 67.1 Ų | 67.1 | 15% | 0.145 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.1 | -45 | 173.7 | 175.9 | -178.8 | 79.7 | 0 | 0 | 112.1 | A109 P110 Q168 D169 R170 I174 G176 V177 | A109-Q172 PolarHBondContact O-NE2 2.88Å; A109-Q172 VanDerWaalsContact O-NE2 3.16Å; P110-Q172 VanDerWaalsContact CA-NE2 3.27Å; Q168-Q172 VanDerWaalsContact O-CB 3.29Å; Q168-Q172 WeakPolarHBondContact O-CB 3.46Å; Q168-Q172 PolarHBondContact O-N 3.08Å; D169-Q172 PolarHBondContact O-N 3.48Å; R170-Q172 VanDerWaalsContact C-N 3.34Å; Q172-I174 PolarHBondContact O-N 2.73Å; Q172-G176 VanDerWaalsContact O-CA 3.25Å; Q172-G176 WeakPolarHBondContact O-CA 3.37Å; Q172-G176 PolarHBondContact O-N 2.74Å; Q172-V177 VanDerWaalsContact CA-O 3.28Å; Q172-V177 WeakPolarHBondContact CA-O 3.27Å |
| 173 | G | 79.6 | Confident | 80.4 | Confident | 69 Ų | 69 | 67.3 Ų | 67.3 | 71% | 0.711 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -61.7 | -31.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | D169 R170 | D169-G173 PolarHBondContact O-N 3.2Å; R170-G173 PolarHBondContact O-N 2.9Å |
| 174 | I | 76.4 | Confident | 79.6 | Confident | 121 Ų | 121 | 57.8 Ų | 57.8 | 62% | 0.621 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -82.9 | -46.6 | 179.2 | -64.7 | 165.6 | 0 | 0 | 0 | 111.5 | R170 L171 Q172 | R170-I174 HydrophobicContact CG-CD1 4.1Å; R170-I174 WeakPolarHBondContact O-CG1 3.28Å; R170-I174 PolarHBondContact O-N 2.82Å; R170-I174 VanDerWaalsContact O-N 3.17Å; L171-I174 PolarHBondContact O-N 2.86Å; Q172-I174 PolarHBondContact O-N 2.73Å |
| 175 | M | 73.1 | Confident | 78.9 | Confident | 92 Ų | 92 | 56.2 Ų | 56.2 | 45% | 0.453 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -97.8 | -16.6 | -168.2 | -60.6 | -173.8 | -64.1 | 0 | 0 | 113.5 | L171 V177 L179 | L171-M175 HydrophobicContact CB-CE 3.65Å; L171-M175 HydrophobicContact CD1-CE 4.44Å; L171-M175 HydrophobicContact CD2-CE 3.9Å; L171-M175 HydrophobicContact CG-CE 4.19Å; L171-M175 WeakPolarHBondContact O-CB 3.49Å; L171-M175 PolarHBondContact O-N 2.9Å; M175-V177 HydrophobicContact CB-CB 4.43Å; M175-V177 HydrophobicContact CB-CG2 4.24Å; M175-V177 WeakPolarHBondContact O-CG2 3.35Å; M175-V177 PolarHBondContact O-N 3.26Å; M175-L179 HydrophobicContact CE-CD1 3.96Å |
| 176 | G | 72.7 | Confident | 77.1 | Confident | 43 Ų | 43 | 56.3 Ų | 56.3 | 44% | 0.443 | 30% | 0.303 | S | S | . | . | S | Bend | trans | 70 | 12.3 | -170.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q172 | Q172-G176 VanDerWaalsContact O-CA 3.25Å; Q172-G176 WeakPolarHBondContact O-CA 3.37Å; Q172-G176 PolarHBondContact O-N 2.74Å |
| 177 | V | 72.7 | Confident | 75.6 | Confident | 29 Ų | 29 | 55.7 Ų | 55.7 | 18% | 0.176 | 31% | 0.308 | C | S | . | . | trans | -121.4 | 133.4 | -176.2 | -168.1 | 0 | 0 | 0 | 0 | 109.7 | L63 L65 Q172 M175 L179 | L63-V177 HydrophobicContact CD1-CG2 4.38Å; L63-V177 HydrophobicContact CD2-CB 4.19Å; L63-V177 HydrophobicContact CD2-CG1 3.99Å; L63-V177 HydrophobicContact CD2-CG2 3.33Å; L63-V177 HydrophobicContact CG-CG2 4.45Å; L65-V177 HydrophobicContact CD2-CG2 4.17Å; Q172-V177 VanDerWaalsContact CA-O 3.28Å; Q172-V177 WeakPolarHBondContact CA-O 3.27Å; M175-V177 HydrophobicContact CB-CB 4.43Å; M175-V177 HydrophobicContact CB-CG2 4.24Å; M175-V177 WeakPolarHBondContact O-CG2 3.35Å; M175-V177 PolarHBondContact O-N 3.26Å; V177-L179 HydrophobicContact CG1-CD2 4.48Å | ||
| 178 | S | 75.1 | Confident | 73.7 | Confident | 18 Ų | 18 | 63.4 Ų | 63.4 | 13% | 0.126 | 34% | 0.34 | C | S | . | . | trans | -84.1 | 138.5 | 167.1 | 47.7 | 0 | 0 | 0 | 0 | 110.4 | A109 P180 | A109-S178 WeakPolarHBondContact CA-OG 3.21Å; A109-S178 WeakPolarHBondContact CB-OG 3.33Å; A109-S178 WeakPolarHBondContact O-CB 3.23Å; A109-S178 PolarHBondContact O-OG 2.96Å; A109-S178 VanDerWaalsContact O-OG 3.11Å; S178-P180 VanDerWaalsContact O-CD 3.28Å; S178-P180 WeakPolarHBondContact O-CD 3.29Å | ||
| 179 | L | 75.9 | Confident | 71.7 | Confident | 89 Ų | 89 | 67.1 Ų | 67.1 | 47% | 0.466 | 36% | 0.357 | S | S | . | . | trans | -116.6 | 73.3 | 172.2 | -63.1 | 175.4 | 0 | 0 | 0 | 108.7 | Q168 L171 M175 V177 L181 | Q168-L179 PolarHBondContact NE2-O 3.4Å; L171-L179 HydrophobicContact CD1-CD1 4.25Å; M175-L179 HydrophobicContact CE-CD1 3.96Å; V177-L179 HydrophobicContact CG1-CD2 4.48Å; L179-L181 PolarHBondContact O-N 3.07Å | ||
| 180 | P | 77.1 | Confident | 70.1 | Confident | 18 Ų | 18 | 70.3 Ų | 70.3 | 12% | 0.117 | 37% | 0.365 | C | S | . | . | trans | -62.4 | 137.2 | 172.1 | 26.5 | -31.2 | 0 | 0 | 0 | 108.9 | V33 L113 Q155 S178 F182 | V33-P180 HydrophobicContact CG1-CB 4.42Å; V33-P180 HydrophobicContact CG1-CG 3.82Å; L113-P180 HydrophobicContact CD2-CB 4.23Å; Q155-P180 HydrophobicContact CG-CB 4.49Å; S178-P180 VanDerWaalsContact O-CD 3.28Å; S178-P180 WeakPolarHBondContact O-CD 3.29Å; P180-F182 HydrophobicContact CB-CD1 4.19Å; P180-F182 HydrophobicContact CG-CD1 3.96Å; P180-F182 HydrophobicContact CG-CE1 4.23Å; P180-F182 WeakPolarHBondContact O-CD1 3.39Å | ||
| 181 | L | 75.1 | Confident | 68 | Low | 90 Ų | 90 | 68 Ų | 68 | 47% | 0.471 | 37% | 0.372 | S | S | . | . | trans | -88.8 | 110 | 167.9 | -63.7 | -177.4 | 0 | 0 | 0 | 106.5 | V156 L164 L179 | V156-L181 HydrophobicContact CB-CB 4.08Å; V156-L181 WeakPolarHBondContact CB-O 3.35Å; V156-L181 HydrophobicContact CG2-CB 4.02Å; V156-L181 WeakPolarHBondContact CG2-O 3.34Å; V156-L181 PolarHBondContact N-O 2.94Å; L164-L181 HydrophobicContact CD1-CD1 3.74Å; L164-L181 HydrophobicContact CD2-CD1 4.19Å; L179-L181 PolarHBondContact O-N 3.07Å | ||
| 182 | F | 78 | Confident | 65.9 | Low | 45 Ų | 45 | 71.4 Ų | 71.4 | 20% | 0.197 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 156.5 | -177.9 | 66 | -87.7 | 0 | 0 | 0 | 110.5 | V33 L34 Y153 D154 P180 L194 | V33-F182 HydrophobicContact CG1-CB 4.22Å; V33-F182 HydrophobicContact CG1-CD1 3.24Å; V33-F182 HydrophobicContact CG1-CD2 3.98Å; V33-F182 HydrophobicContact CG1-CE1 3.41Å; V33-F182 VanDerWaalsContact CG1-CE1 3.41Å; V33-F182 HydrophobicContact CG1-CE2 4.12Å; V33-F182 HydrophobicContact CG1-CG 3.55Å; V33-F182 HydrophobicContact CG1-CZ 3.85Å; L34-F182 HydrophobicContact CD1-CE2 4.23Å; L34-F182 HydrophobicContact CD1-CZ 3.93Å; L34-F182 HydrophobicContact CD2-CZ 4.28Å; L34-F182 HydrophobicContact CG-CZ 4.11Å; Y153-F182 AromaticContact CD1-CD2 3.48Å; Y153-F182 HydrophobicContact CD1-CD2 3.48Å; Y153-F182 VanDerWaalsContact CD1-CD2 3.48Å; Y153-F182 AromaticContact CD1-CE2 3.68Å; Y153-F182 HydrophobicContact CD1-CE2 3.68Å; Y153-F182 HydrophobicContact CE1-CD2 4.13Å; Y153-F182 AromaticContact CE1-CE2 3.83Å; Y153-F182 HydrophobicContact CE1-CE2 3.83Å; Y153-F182 AromaticContact CG-CD2 3.93Å; Y153-F182 HydrophobicContact CG-CD2 3.93Å; Y153-F182 HydrophobicContact CG-CE2 4.33Å; D154-F182 CarbonylContact O-C 3.57Å; D154-F182 WeakPolarHBondContact O-CA 3.04Å; D154-F182 WeakPolarHBondContact O-CB 3.45Å; P180-F182 HydrophobicContact CB-CD1 4.19Å; P180-F182 HydrophobicContact CG-CD1 3.96Å; P180-F182 HydrophobicContact CG-CE1 4.23Å; P180-F182 WeakPolarHBondContact O-CD1 3.39Å; F182-L194 HydrophobicContact CE2-CD2 4.04Å; F182-L194 HydrophobicContact CZ-CD2 4.33Å |
| 183 | H | 73.1 | Confident | 64.9 | Low | 53 Ų | 53 | 70.6 Ų | 70.6 | 25% | 0.245 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 158.1 | 168.2 | 64.9 | 83.4 | 0 | 0 | 0 | 109.8 | D154 F192 G193 Y197 | D154-H183 PolarHBondContact N-O 2.9Å; D154-H183 PolarHBondContact O-N 3.17Å; D154-H183 IonicContact OD2-CE1 3.5Å; H183-F192 HydrophobicContact CB-CD2 3.78Å; H183-F192 HydrophobicContact CB-CE2 3.71Å; H183-G193 CarbonylContact C-O 3.52Å; H183-Y197 PolarHBondContact ND1-OH 3.46Å |
| 184 | A | 72.6 | Confident | 64.4 | Low | 0 Ų | 0 | 73.5 Ų | 73.5 | 0% | 0 | 38% | 0.383 | C | S | . | . | B | Isolated β-bridge | trans | -141.9 | -132.8 | 167.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | Y153 F192 G193 M195 Y197 | Y153-A184 HydrophobicContact CD1-CB 3.61Å; Y153-A184 HydrophobicContact CE1-CB 4.06Å; A184-F192 CarbonylContact O-C 3.46Å; A184-F192 VanDerWaalsContact O-C 3.23Å; A184-F192 VanDerWaalsContact O-CA 3.23Å; A184-F192 WeakPolarHBondContact O-CA 3.29Å; A184-G193 CarbonylContact C-O 3.59Å; A184-G193 PolarHBondContact N-O 3.45Å; A184-G193 PolarHBondContact O-N 2.91Å; A184-M195 WeakPolarHBondContact CB-O 3.49Å; A184-Y197 HydrophobicContact CB-CD1 4.45Å; A184-Y197 HydrophobicContact CB-CD2 4.06Å; A184-Y197 HydrophobicContact CB-CE1 4.41Å; A184-Y197 HydrophobicContact CB-CE2 4.03Å; A184-Y197 HydrophobicContact CB-CG 4.29Å |
| 185 | R | 70.9 | Confident | 64.1 | Low | 10 Ų | 10 | 69.8 Ų | 69.8 | 4% | 0.038 | 36% | 0.363 | C | S | . | . | B | Isolated β-bridge | trans | -96.2 | 155.9 | -178.6 | 57.7 | 177 | -175.5 | 102.5 | 1.1 | 113 | L7 Y190 G193 L194 M195 P196 Y197 | L7-R185 PolarHBondContact O-NH2 2.72Å; R185-Y190 HydrophobicContact CB-CD1 4.37Å; R185-G193 CarbonylContact O-C 3.58Å; R185-G193 VanDerWaalsContact O-CA 3.29Å; R185-G193 WeakPolarHBondContact O-CA 3.27Å; R185-L194 PolarHBondContact O-N 3.45Å; R185-M195 HydrophobicContact CG-CB 4.15Å; R185-M195 HydrophobicContact CG-CG 4.48Å; R185-M195 WeakPolarHBondContact CG-O 3.37Å; R185-M195 PolarHBondContact N-O 2.95Å; R185-M195 PolarHBondContact NH1-SD 3.43Å; R185-M195 PolarHBondContact NH2-SD 2.92Å; R185-M195 WeakPolarHBondContact O-CB 3.49Å; R185-M195 PolarHBondContact O-N 3.29Å; R185-P196 PolarHBondContact NE-O 3.43Å; R185-Y197 HydrophobicContact CB-CD1 4.3Å; R185-Y197 HydrophobicContact CB-CE1 4.4Å |
| 186 | G | 51.3 | Low | 64.1 | Low | 11 Ų | 11 | 65.9 Ų | 65.9 | 11% | 0.113 | 35% | 0.345 | C | S | . | . | trans | -76.9 | 168.8 | 167.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | F188 Q189 F192 | G186-F188 VanDerWaalsContact C-N 3.25Å; G186-F188 PolarHBondContact O-N 3.04Å; G186-Q189 CarbonylContact C-O 3.59Å; G186-Q189 VanDerWaalsContact CA-O 3.27Å; G186-Q189 WeakPolarHBondContact CA-O 3.47Å; G186-Q189 PolarHBondContact N-O 3.15Å; G186-F192 WeakPolarHBondContact CA-O 3.49Å; G186-F192 PolarHBondContact N-O 2.94Å; G186-F192 VanDerWaalsContact N-O 3.08Å | ||
| 187 | I | 55.1 | Low | 64.2 | Low | 128 Ų | 128 | 65.4 Ų | 65.4 | 66% | 0.656 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -65.8 | -33.7 | 173.4 | -60.6 | 166.9 | 0 | 0 | 0 | 110.5 | M195 | I187-M195 HydrophobicContact CB-CE 4.05Å; I187-M195 HydrophobicContact CG1-CE 3.51Å; I187-M195 HydrophobicContact CG2-CE 4.27Å |
| 188 | F | 44.1 | Very low | 64.5 | Low | 198 Ų | 198 | 70.6 Ų | 70.6 | 87% | 0.868 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -117.6 | -0.5 | -175.2 | -57.3 | -72.7 | 0 | 0 | 0 | 114.5 | G186 | G186-F188 VanDerWaalsContact C-N 3.25Å; G186-F188 PolarHBondContact O-N 3.04Å |
| 189 | Q | 45.3 | Very low | 65 | Low | 85 Ų | 85 | 74.1 Ų | 74.1 | 40% | 0.397 | 36% | 0.357 | S | S | . | . | trans | -148 | 161.7 | 178.2 | 50.9 | 75 | -4.4 | 0 | 0 | 110.7 | G186 F192 | G186-Q189 CarbonylContact C-O 3.59Å; G186-Q189 VanDerWaalsContact CA-O 3.27Å; G186-Q189 WeakPolarHBondContact CA-O 3.47Å; G186-Q189 PolarHBondContact N-O 3.15Å; Q189-F192 PolarHBondContact NE2-O 3.34Å; Q189-F192 PolarHBondContact OE1-O 2.61Å | ||
| 190 | Y | 52.8 | Low | 65.7 | Low | 131 Ų | 131 | 72.5 Ų | 72.5 | 51% | 0.514 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -101.1 | -3.6 | -172.8 | -94.8 | -94 | 0 | 0 | 0 | 115.2 | R185 R198 | R185-Y190 HydrophobicContact CB-CD1 4.37Å; Y190-R198 PolarHBondContact OH-NH1 3.34Å |
| 191 | S | 40.3 | Very low | 66.4 | Low | 102 Ų | 102 | 71.7 Ų | 71.7 | 71% | 0.713 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -96.5 | -22.1 | -167.6 | -50 | 0 | 0 | 0 | 0 | 114.5 | ||
| 192 | F | 39.2 | Very low | 67.4 | Low | 136 Ų | 136 | 70.9 Ų | 70.9 | 60% | 0.596 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -163.4 | 131.3 | -179 | -170.9 | -104.9 | 0 | 0 | 0 | 114.2 | H183 A184 G186 Q189 | H183-F192 HydrophobicContact CB-CD2 3.78Å; H183-F192 HydrophobicContact CB-CE2 3.71Å; A184-F192 CarbonylContact O-C 3.46Å; A184-F192 VanDerWaalsContact O-C 3.23Å; A184-F192 VanDerWaalsContact O-CA 3.23Å; A184-F192 WeakPolarHBondContact O-CA 3.29Å; G186-F192 WeakPolarHBondContact CA-O 3.49Å; G186-F192 PolarHBondContact N-O 2.94Å; G186-F192 VanDerWaalsContact N-O 3.08Å; Q189-F192 PolarHBondContact NE2-O 3.34Å; Q189-F192 PolarHBondContact OE1-O 2.61Å |
| 193 | G | 62.9 | Low | 68.4 | Low | 15 Ų | 15 | 68.7 Ų | 68.7 | 16% | 0.155 | 33% | 0.328 | C | S | . | . | B | Isolated β-bridge | trans | 165 | -167.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | H183 A184 R185 | H183-G193 CarbonylContact C-O 3.52Å; A184-G193 CarbonylContact C-O 3.59Å; A184-G193 PolarHBondContact N-O 3.45Å; A184-G193 PolarHBondContact O-N 2.91Å; R185-G193 CarbonylContact O-C 3.58Å; R185-G193 VanDerWaalsContact O-CA 3.29Å; R185-G193 WeakPolarHBondContact O-CA 3.27Å |
| 194 | L | 69.1 | Low | 69.6 | Low | 129 Ų | 129 | 66.2 Ų | 66.2 | 68% | 0.675 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -104.8 | -0.8 | -179.4 | -60.4 | 177.6 | 0 | 0 | 0 | 113 | F182 R185 | F182-L194 HydrophobicContact CE2-CD2 4.04Å; F182-L194 HydrophobicContact CZ-CD2 4.33Å; R185-L194 PolarHBondContact O-N 3.45Å |
| 195 | M | 69.5 | Low | 70.8 | Confident | 43 Ų | 43 | 66.2 Ų | 66.2 | 21% | 0.212 | 32% | 0.317 | C | S | . | . | B | Isolated β-bridge | trans | -84.4 | 128.9 | 178.2 | -169.8 | -179.8 | -56.1 | 0 | 0 | 108.9 | L7 A184 R185 I187 | L7-M195 HydrophobicContact CD2-CG 4.32Å; L7-M195 HydrophobicContact CD2-SD 3.76Å; A184-M195 WeakPolarHBondContact CB-O 3.49Å; R185-M195 HydrophobicContact CG-CB 4.15Å; R185-M195 HydrophobicContact CG-CG 4.48Å; R185-M195 WeakPolarHBondContact CG-O 3.37Å; R185-M195 PolarHBondContact N-O 2.95Å; R185-M195 PolarHBondContact NH1-SD 3.43Å; R185-M195 PolarHBondContact NH2-SD 2.92Å; R185-M195 WeakPolarHBondContact O-CB 3.49Å; R185-M195 PolarHBondContact O-N 3.29Å; I187-M195 HydrophobicContact CB-CE 4.05Å; I187-M195 HydrophobicContact CG1-CE 3.51Å; I187-M195 HydrophobicContact CG2-CE 4.27Å |
| 196 | P | 72.4 | Confident | 72.1 | Confident | 10 Ų | 10 | 65.8 Ų | 65.8 | 7% | 0.065 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 148.2 | -176.5 | 18 | -28.3 | 0 | 0 | 0 | 112.4 | F8 V152 Y153 R185 | F8-P196 HydrophobicContact CD1-CB 3.87Å; F8-P196 HydrophobicContact CD1-CG 3.42Å; F8-P196 VanDerWaalsContact CD1-CG 3.42Å; F8-P196 HydrophobicContact CE1-CB 4.01Å; F8-P196 HydrophobicContact CE1-CG 3.17Å; F8-P196 HydrophobicContact CZ-CG 4.29Å; V152-P196 HydrophobicContact CB-CB 3.94Å; V152-P196 WeakPolarHBondContact O-CA 3.49Å; Y153-P196 HydrophobicContact CE1-CB 3.95Å; Y153-P196 HydrophobicContact CE2-CB 4.19Å; Y153-P196 WeakPolarHBondContact OH-CD 3.36Å; Y153-P196 WeakPolarHBondContact OH-CG 3.43Å; R185-P196 PolarHBondContact NE-O 3.43Å |
| 197 | Y | 76 | Confident | 74.4 | Confident | 34 Ų | 34 | 71.4 Ų | 71.4 | 13% | 0.133 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -60.8 | 150.5 | 171 | -65.3 | -60.4 | 0 | 0 | 0 | 110.7 | V152 D154 H183 A184 R185 R199 | V152-Y197 WeakPolarHBondContact O-CD2 3.48Å; V152-Y197 PolarHBondContact O-N 3.38Å; D154-Y197 HydrophobicContact CB-CE2 4.28Å; D154-Y197 WeakPolarHBondContact OD2-CE2 3.38Å; D154-Y197 VanDerWaalsContact OD2-CZ 3.24Å; D154-Y197 PolarHBondContact OD2-OH 3.09Å; H183-Y197 PolarHBondContact ND1-OH 3.46Å; A184-Y197 HydrophobicContact CB-CD1 4.45Å; A184-Y197 HydrophobicContact CB-CD2 4.06Å; A184-Y197 HydrophobicContact CB-CE1 4.41Å; A184-Y197 HydrophobicContact CB-CE2 4.03Å; A184-Y197 HydrophobicContact CB-CG 4.29Å; R185-Y197 HydrophobicContact CB-CD1 4.3Å; R185-Y197 HydrophobicContact CB-CE1 4.4Å; Y197-R199 PolarHBondContact O-N 3.38Å |
| 198 | R | 79.4 | Confident | 76.4 | Confident | 137 Ų | 137 | 67.6 Ų | 67.6 | 52% | 0.517 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -78.1 | 58.7 | 176.4 | -70.4 | -174.2 | 168.4 | 143.7 | -7.5 | 110.9 | L7 Y190 | L7-R198 WeakPolarHBondContact O-CG 3.39Å; Y190-R198 PolarHBondContact OH-NH1 3.34Å |
| 199 | R | 85 | Confident | 79 | Confident | 93 Ų | 93 | 58.7 Ų | 58.7 | 35% | 0.351 | 28% | 0.278 | S | S | . | . | trans | -101.3 | 143.1 | 173.8 | -61.5 | -167.1 | -164.5 | -169.7 | 6.1 | 109.5 | F8 E151 Y197 | F8-R199 WeakPolarHBondContact CB-O 3.24Å; E151-R199 HydrophobicContact CB-CB 4.38Å; E151-R199 WeakPolarHBondContact O-CD 3.18Å; E151-R199 PolarHBondContact O-NE 3.49Å; E151-R199 IonicContact OE2-CZ 2.61Å; E151-R199 IonicContact OE2-NH1 3.51Å; E151-R199 PolarHBondContact OE2-NH1 2.8Å; Y197-R199 PolarHBondContact O-N 3.38Å | ||
| 200 | P | 89.6 | Confident | 81.5 | Confident | 55 Ų | 55 | 64.8 Ų | 64.8 | 36% | 0.357 | 30% | 0.298 | S | S | . | . | trans | -69.9 | 142.5 | -177.8 | 29.9 | -34.9 | 0 | 0 | 0 | 111 | P9 Y202 | P9-P200 HydrophobicContact CB-CB 4.38Å; P9-P200 CarbonylContact O-C 3.51Å; P9-P200 VanDerWaalsContact O-CA 3.24Å; P9-P200 WeakPolarHBondContact O-CA 3.43Å; P200-Y202 HydrophobicContact CB-CD2 4.4Å; P200-Y202 HydrophobicContact CB-CE2 3.6Å; P200-Y202 HydrophobicContact CG-CE2 3.89Å | ||
| 201 | I | 93.3 | Very high | 83.7 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 122.6 | 172.5 | -62.4 | 169.6 | 0 | 0 | 0 | 108.5 | F8 P9 S10 Q11 A36 S146 F147 V152 | F8-I201 HydrophobicContact CD2-CD1 3.75Å; F8-I201 HydrophobicContact CE2-CD1 4.12Å; F8-I201 HydrophobicContact CG-CD1 4.42Å; P9-I201 PolarHBondContact O-N 2.65Å; S10-I201 CarbonylContact C-O 3.6Å; S10-I201 VanDerWaalsContact CA-O 3.31Å; S10-I201 WeakPolarHBondContact CA-O 3.14Å; Q11-I201 PolarHBondContact N-O 3.05Å; A36-I201 HydrophobicContact CB-CD1 4.35Å; S146-I201 WeakPolarHBondContact OG-CG2 3.17Å; F147-I201 WeakPolarHBondContact O-CA 3.29Å; V152-I201 HydrophobicContact CG1-CD1 3.63Å; V152-I201 HydrophobicContact CG1-CG1 3.89Å; V152-I201 HydrophobicContact CG2-CD1 4.46Å |
| 202 | Y | 95.9 | Very high | 86.4 | Confident | 73 Ų | 73 | 61.9 Ų | 61.9 | 29% | 0.286 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 108.3 | 176.4 | -56 | -84.3 | 0 | 0 | 0 | 109.4 | Q11 S146 F147 P200 Y244 | Q11-Y202 HydrophobicContact CB-CD1 3.9Å; Q11-Y202 HydrophobicContact CB-CE1 4.34Å; S146-Y202 CarbonylContact C-O 3.6Å; S146-Y202 WeakPolarHBondContact CA-O 3.04Å; F147-Y202 PolarHBondContact N-O 2.87Å; F147-Y202 PolarHBondContact O-N 2.86Å; P200-Y202 HydrophobicContact CB-CD2 4.4Å; P200-Y202 HydrophobicContact CB-CE2 3.6Å; P200-Y202 HydrophobicContact CG-CE2 3.89Å; Y202-Y244 AromaticContact CD1-CD1 3.99Å; Y202-Y244 HydrophobicContact CD1-CD1 3.99Å; Y202-Y244 AromaticContact CD1-CE1 3.51Å; Y202-Y244 HydrophobicContact CD1-CE1 3.51Å; Y202-Y244 AromaticContact CD2-CD1 3.35Å; Y202-Y244 HydrophobicContact CD2-CD1 3.35Å; Y202-Y244 AromaticContact CD2-CE1 3.77Å; Y202-Y244 HydrophobicContact CD2-CE1 3.77Å; Y202-Y244 HydrophobicContact CD2-CG 4.12Å; Y202-Y244 HydrophobicContact CE1-CD1 4.48Å; Y202-Y244 HydrophobicContact CE1-CE1 4.2Å; Y202-Y244 AromaticContact CE2-CD1 3.88Å; Y202-Y244 HydrophobicContact CE2-CD1 3.88Å; Y202-Y244 HydrophobicContact CE2-CE1 4.38Å; Y202-Y244 AromaticContact CG-CD1 3.4Å; Y202-Y244 HydrophobicContact CG-CD1 3.4Å; Y202-Y244 VanDerWaalsContact CG-CD1 3.4Å; Y202-Y244 AromaticContact CG-CE1 3.27Å; Y202-Y244 HydrophobicContact CG-CE1 3.27Å; Y202-Y244 HydrophobicContact CG-CG 4.31Å |
| 203 | T | 97.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 116.4 | 179.5 | -56.8 | 0 | 0 | 0 | 0 | 109.7 | Q11 L12 V13 F28 N41 F42 V144 F145 S146 | Q11-T203 PolarHBondContact O-N 3.33Å; L12-T203 CarbonylContact C-O 3.56Å; L12-T203 WeakPolarHBondContact CA-O 3.43Å; L12-T203 HydrophobicContact CD1-CG2 3.88Å; V13-T203 PolarHBondContact N-O 3.18Å; F28-T203 HydrophobicContact CD2-CG2 4.27Å; F28-T203 HydrophobicContact CE2-CG2 3.78Å; N41-T203 WeakPolarHBondContact ND2-CB 3.36Å; N41-T203 PolarHBondContact ND2-OG1 2.72Å; F42-T203 HydrophobicContact CE2-CG2 4.46Å; F42-T203 HydrophobicContact CZ-CG2 4.36Å; V144-T203 HydrophobicContact CG1-CG2 3.38Å; F145-T203 CarbonylContact O-C 3.38Å; F145-T203 WeakPolarHBondContact O-CA 3.2Å; S146-T203 PolarHBondContact OG-OG1 3.25Å |
| 204 | V | 98.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 122.6 | 178.2 | -170.6 | 0 | 0 | 0 | 0 | 109.3 | V13 T15 V144 F145 F147 L236 H240 Y244 | V13-V204 HydrophobicContact CB-CG1 4.48Å; V13-V204 HydrophobicContact CB-CG2 4.27Å; V13-V204 HydrophobicContact CG1-CG1 4.44Å; T15-V204 HydrophobicContact CG2-CG1 3.52Å; V144-V204 WeakPolarHBondContact CA-O 3.43Å; F145-V204 PolarHBondContact N-O 3.19Å; F145-V204 PolarHBondContact O-N 3.32Å; F147-V204 HydrophobicContact CD2-CG2 4.18Å; F147-V204 HydrophobicContact CE2-CG2 3.98Å; V204-L236 HydrophobicContact CG1-CD1 3.77Å; V204-L236 HydrophobicContact CG1-CG 4.28Å; V204-H240 HydrophobicContact CG2-CB 4.3Å; V204-Y244 HydrophobicContact CG2-CE2 3.82Å |
| 205 | V | 98.7 | Very high | 92 | Very high | 1 Ų | 1 | 65.7 Ų | 65.7 | 1% | 0.006 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 115.5 | 173.7 | -177.2 | 0 | 0 | 0 | 0 | 108.3 | L12 V13 T15 F42 F53 V142 V144 | L12-V205 HydrophobicContact CD1-CG2 3.59Å; L12-V205 HydrophobicContact CG-CG2 4.28Å; V13-V205 PolarHBondContact O-N 3.05Å; T15-V205 WeakPolarHBondContact CB-O 3.49Å; T15-V205 WeakPolarHBondContact CG2-O 3.11Å; T15-V205 PolarHBondContact N-O 3.37Å; T15-V205 PolarHBondContact OG1-O 2.63Å; F42-V205 HydrophobicContact CZ-CG2 4.46Å; F53-V205 HydrophobicContact CE1-CG1 4.43Å; F53-V205 HydrophobicContact CE2-CB 4.45Å; F53-V205 HydrophobicContact CE2-CG1 4.37Å; F53-V205 HydrophobicContact CE2-CG2 4.19Å; F53-V205 HydrophobicContact CZ-CB 3.95Å; F53-V205 HydrophobicContact CZ-CG1 3.74Å; F53-V205 HydrophobicContact CZ-CG2 4.19Å; V142-V205 HydrophobicContact CG1-CG1 3.61Å; V144-V205 HydrophobicContact CG1-CG2 4.42Å; V144-V205 HydrophobicContact CG2-CG1 4.27Å; V144-V205 HydrophobicContact CG2-CG2 4.38Å |
| 206 | G | 98.4 | Very high | 93.2 | Very high | 1 Ų | 1 | 72.3 Ų | 72.3 | 1% | 0.01 | 32% | 0.315 | C | S | . | . | trans | -74 | -176.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | T15 V142 P143 | T15-G206 VanDerWaalsContact OG1-C 3.25Å; T15-G206 VanDerWaalsContact OG1-CA 3.31Å; T15-G206 WeakPolarHBondContact OG1-CA 3.17Å; V142-G206 WeakPolarHBondContact CG1-O 2.96Å; P143-G206 WeakPolarHBondContact O-CA 3.5Å; P143-G206 PolarHBondContact O-N 2.91Å | ||
| 207 | R | 98.1 | Very high | 94.4 | Very high | 128 Ų | 128 | 72.8 Ų | 72.8 | 48% | 0.483 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -74.5 | 146.9 | 177.6 | -62.5 | 177.7 | -64.9 | 161.8 | 8.6 | 110.7 | A16 P143 I209 E232 | A16-R207 HydrophobicContact CB-CB 4.4Å; A16-R207 HydrophobicContact CB-CG 3.94Å; P143-R207 WeakPolarHBondContact CD-O 3.36Å; R207-I209 PolarHBondContact O-N 2.75Å; R207-E232 IonicContact CZ-OE2 2.97Å; R207-E232 IonicContact NE-OE2 3.74Å; R207-E232 IonicContact NH2-OE1 2.7Å; R207-E232 IonicContact NH2-OE2 3.97Å; R207-E232 PolarHBondContact NH2-OE2 3.29Å |
| 208 | P | 98.3 | Very high | 95.4 | Very high | 48 Ų | 48 | 73.3 Ų | 73.3 | 31% | 0.312 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -72.5 | 130 | 178.4 | 29.3 | -33.7 | 0 | 0 | 0 | 111.6 | L18 Y24 L141 V142 | L18-P208 HydrophobicContact CD2-CB 3.86Å; L18-P208 HydrophobicContact CD2-CG 3.94Å; Y24-P208 HydrophobicContact CE1-CB 3.99Å; L141-P208 CarbonylContact O-C 3.5Å; L141-P208 WeakPolarHBondContact O-CA 3.47Å; V142-P208 HydrophobicContact CG2-CB 4.26Å |
| 209 | I | 98.8 | Very high | 96.2 | Very high | 12 Ų | 12 | 69 Ų | 69 | 6% | 0.062 | 33% | 0.325 | C | S | . | . | B | Isolated β-bridge | trans | -88.9 | 116.6 | 168.7 | -54.9 | 171.5 | 0 | 0 | 0 | 107.4 | H140 L141 R207 V211 L225 L228 Y229 E232 | H140-I209 WeakPolarHBondContact CA-O 3.03Å; H140-I209 WeakPolarHBondContact CB-O 3.48Å; L141-I209 HydrophobicContact CB-CB 4.18Å; L141-I209 PolarHBondContact N-O 3.38Å; L141-I209 PolarHBondContact O-N 3.28Å; R207-I209 PolarHBondContact O-N 2.75Å; I209-V211 PolarHBondContact O-N 3.32Å; I209-L225 HydrophobicContact CG2-CD1 3.89Å; I209-L228 HydrophobicContact CG2-CD2 3.67Å; I209-L228 HydrophobicContact CG2-CG 4.2Å; I209-Y229 HydrophobicContact CD1-CD2 4.01Å; I209-E232 HydrophobicContact CD1-CB 4Å; I209-E232 HydrophobicContact CD1-CG 3.96Å; I209-E232 HydrophobicContact CG1-CG 4.17Å |
| 210 | R | 98.3 | Very high | 96.8 | Very high | 212 Ų | 212 | 72.3 Ų | 72.3 | 80% | 0.8 | 34% | 0.344 | S | S | * | . | P | Polyproline II helix | trans | -66 | 129.8 | 177.7 | -177.9 | 173.8 | 176.2 | 153.9 | -2.1 | 109.7 | ||
| 211 | V | 98.4 | Very high | 97.2 | Very high | 7 Ų | 7 | 71.9 Ų | 71.9 | 4% | 0.042 | 34% | 0.339 | C | S | . | . | trans | -114.9 | 129 | 178.1 | 178.2 | 0 | 0 | 0 | 0 | 109.5 | A134 M135 A139 H140 L141 I209 L225 | A134-V211 HydrophobicContact CB-CG1 4.43Å; A134-V211 HydrophobicContact CB-CG2 4.41Å; M135-V211 HydrophobicContact CB-CG1 4.38Å; M135-V211 HydrophobicContact CG-CG1 3.92Å; A139-V211 WeakPolarHBondContact O-CB 3.48Å; A139-V211 VanDerWaalsContact O-CG2 3.32Å; A139-V211 WeakPolarHBondContact O-CG2 3.46Å; H140-V211 PolarHBondContact ND1-N 3.37Å; H140-V211 VanDerWaalsContact ND1-N 3.2Å; L141-V211 HydrophobicContact CB-CG2 4.44Å; L141-V211 HydrophobicContact CD1-CG2 4.07Å; L141-V211 HydrophobicContact CG-CG2 3.93Å; I209-V211 PolarHBondContact O-N 3.32Å; V211-L225 HydrophobicContact CG1-CD2 4.04Å; V211-L225 HydrophobicContact CG2-CD1 4.37Å; V211-L225 HydrophobicContact CG2-CD2 3.9Å | ||
| 212 | E | 96.9 | Very high | 97.4 | Very high | 166 Ų | 166 | 73 Ų | 73 | 78% | 0.776 | 35% | 0.345 | S | S | * | . | trans | -83.1 | 133.9 | 170 | -171.9 | 174.4 | 170.5 | 0 | 0 | 110 | K214 | E212-K214 PolarHBondContact O-N 3.08Š| ||
| 213 | K | 97.3 | Very high | 97.5 | Very high | 125 Ų | 125 | 73.2 Ų | 73.2 | 54% | 0.543 | 35% | 0.35 | S | S | . | . | trans | -71.9 | 123.5 | -179.4 | -173.2 | 179.8 | 176.9 | -171.3 | 0 | 110.2 | M135 E136 | M135-K213 CarbonylContact O-C 3.46Å; M135-K213 VanDerWaalsContact O-CA 3.3Å; M135-K213 WeakPolarHBondContact O-CA 3.34Å; E136-K213 WeakPolarHBondContact O-CE 3.33Å | ||
| 214 | K | 97.5 | Very high | 97.6 | Very high | 87 Ų | 87 | 76.3 Ų | 76.3 | 38% | 0.378 | 38% | 0.376 | S | S | . | . | trans | -138.2 | 114.9 | 174.1 | -168 | 166.3 | -179.4 | 173.3 | 0 | 109.1 | M135 E136 E212 K216 P217 D221 | M135-K214 CarbonylContact C-O 3.23Å; M135-K214 HydrophobicContact CE-CB 4.23Å; M135-K214 HydrophobicContact CE-CD 4.44Å; M135-K214 PolarHBondContact O-N 3.28Å; E136-K214 WeakPolarHBondContact CA-O 3.47Å; E212-K214 PolarHBondContact O-N 3.08Å; K214-K216 PolarHBondContact O-N 3.34Å; K214-P217 WeakPolarHBondContact O-CD 3.43Å; K214-D221 VanDerWaalsContact CD-OD2 3.29Å; K214-D221 WeakPolarHBondContact CD-OD2 3.48Å; K214-D221 WeakPolarHBondContact CE-OD2 3.23Å; K214-D221 VanDerWaalsContact NZ-CG 3.28Å; K214-D221 IonicContact NZ-OD1 3.72Å; K214-D221 PolarHBondContact NZ-OD1 3.09Å; K214-D221 IonicContact NZ-OD2 3.7Å; K214-D221 PolarHBondContact NZ-OD2 2.84Å | ||
| 215 | E | 93 | Very high | 97.6 | Very high | 147 Ų | 147 | 77.3 Ų | 77.3 | 69% | 0.687 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -64.5 | -29.3 | -176.2 | -66.5 | -171.4 | 169.6 | 0 | 0 | 113 | ||
| 216 | K | 95.5 | Very high | 97.6 | Very high | 183 Ų | 183 | 77.5 Ų | 77.5 | 80% | 0.796 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -133 | 78.3 | 178.8 | -64.5 | -179.2 | -177 | 176 | 0 | 108.8 | K214 | K214-K216 PolarHBondContact O-N 3.34Š|
| 217 | P | 96.9 | Very high | 97.6 | Very high | 20 Ų | 20 | 82 Ų | 82 | 13% | 0.13 | 40% | 0.403 | C | S | . | . | trans | -66.5 | 140.9 | 177.7 | 29.6 | -33.3 | 0 | 0 | 0 | 110 | K132 M135 K214 D221 L222 | K132-P217 HydrophobicContact CG-CG 4.17Å; M135-P217 HydrophobicContact CB-CB 4.29Å; M135-P217 HydrophobicContact CB-CG 4.27Å; M135-P217 HydrophobicContact CE-CB 3.7Å; M135-P217 HydrophobicContact SD-CB 3.6Å; M135-P217 HydrophobicContact SD-CG 4.3Å; K214-P217 WeakPolarHBondContact O-CD 3.43Å; P217-D221 HydrophobicContact CB-CB 4.33Å; P217-L222 HydrophobicContact CB-CD2 4.1Å; P217-L222 HydrophobicContact CB-CG 4.27Å; P217-L222 HydrophobicContact CG-CD2 3.96Å; P217-L222 HydrophobicContact CG-CG 4.37Å | ||
| 218 | S | 97.5 | Very high | 97.6 | Very high | 45 Ų | 45 | 79.5 Ų | 79.5 | 32% | 0.315 | 40% | 0.399 | S | S | . | . | trans | -73.7 | 167.2 | 172.5 | 76.4 | 0 | 0 | 0 | 0 | 110.3 | E220 D221 L222 | S218-E220 VanDerWaalsContact C-N 3.28Å; S218-E220 PolarHBondContact O-N 3.31Å; S218-E220 PolarHBondContact OG-N 3.49Å; S218-D221 PolarHBondContact N-OD2 2.68Å; S218-D221 PolarHBondContact O-N 3.42Å; S218-D221 PolarHBondContact OG-N 3.28Å; S218-D221 VanDerWaalsContact OG-N 3.09Å; S218-D221 PolarHBondContact OG-OD2 2.93Å; S218-D221 VanDerWaalsContact OG-OD2 3.06Å; S218-L222 WeakPolarHBondContact O-CG 3.47Å; S218-L222 PolarHBondContact O-N 2.87Å | ||
| 219 | G | 97.4 | Very high | 97.6 | Very high | 47 Ų | 47 | 77.2 Ų | 77.2 | 49% | 0.485 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -58.8 | -42 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112 | D221 L222 D223 | G219-D221 PolarHBondContact O-N 3.29Å; G219-L222 WeakPolarHBondContact O-CB 3.33Å; G219-L222 PolarHBondContact O-N 2.99Å; G219-D223 WeakPolarHBondContact O-CB 3.44Å; G219-D223 PolarHBondContact O-N 2.97Å; G219-D223 VanDerWaalsContact O-OD1 3.13Å |
| 220 | E | 97.6 | Very high | 97.6 | Very high | 162 Ų | 162 | 77.5 Ų | 77.5 | 76% | 0.757 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -62.9 | -40.2 | 178.6 | -64.9 | 174.3 | 176.3 | 0 | 0 | 112.5 | S218 L222 D223 A224 | S218-E220 VanDerWaalsContact C-N 3.28Å; S218-E220 PolarHBondContact O-N 3.31Å; S218-E220 PolarHBondContact OG-N 3.49Å; E220-L222 VanDerWaalsContact C-N 3.32Å; E220-L222 PolarHBondContact O-N 3.02Å; E220-D223 PolarHBondContact O-N 2.88Å; E220-A224 WeakPolarHBondContact O-CB 3.47Å; E220-A224 PolarHBondContact O-N 3.32Å |
| 221 | D | 97.2 | Very high | 97.6 | Very high | 46 Ų | 46 | 71.4 Ų | 71.4 | 25% | 0.246 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -63.6 | -42.5 | 176.7 | -52.4 | -51.1 | 0 | 0 | 0 | 111.1 | M135 K214 P217 S218 G219 D223 L225 | M135-D221 HydrophobicContact CE-CB 3.52Å; M135-D221 HydrophobicContact SD-CB 4.14Å; K214-D221 VanDerWaalsContact CD-OD2 3.29Å; K214-D221 WeakPolarHBondContact CD-OD2 3.48Å; K214-D221 WeakPolarHBondContact CE-OD2 3.23Å; K214-D221 VanDerWaalsContact NZ-CG 3.28Å; K214-D221 IonicContact NZ-OD1 3.72Å; K214-D221 PolarHBondContact NZ-OD1 3.09Å; K214-D221 IonicContact NZ-OD2 3.7Å; K214-D221 PolarHBondContact NZ-OD2 2.84Å; P217-D221 HydrophobicContact CB-CB 4.33Å; S218-D221 PolarHBondContact N-OD2 2.68Å; S218-D221 PolarHBondContact O-N 3.42Å; S218-D221 PolarHBondContact OG-N 3.28Å; S218-D221 VanDerWaalsContact OG-N 3.09Å; S218-D221 PolarHBondContact OG-OD2 2.93Å; S218-D221 VanDerWaalsContact OG-OD2 3.06Å; G219-D221 PolarHBondContact O-N 3.29Å; D221-D223 VanDerWaalsContact C-N 3.33Å; D221-L225 WeakPolarHBondContact O-CB 3.25Å; D221-L225 PolarHBondContact O-N 3.48Å; D221-L225 VanDerWaalsContact O-N 3.09Å |
| 222 | L | 98 | Very high | 97.6 | Very high | 24 Ų | 24 | 73.4 Ų | 73.4 | 13% | 0.126 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -63.7 | -42.5 | 178.3 | -67.1 | 175.8 | 0 | 0 | 0 | 110.6 | I131 K132 M135 P217 S218 G219 E220 H226 | I131-L222 HydrophobicContact CB-CD2 4.43Å; I131-L222 HydrophobicContact CG2-CD2 3.97Å; K132-L222 HydrophobicContact CB-CD2 3.76Å; K132-L222 HydrophobicContact CG-CD2 4.33Å; M135-L222 HydrophobicContact SD-CD2 3.8Å; P217-L222 HydrophobicContact CB-CD2 4.1Å; P217-L222 HydrophobicContact CB-CG 4.27Å; P217-L222 HydrophobicContact CG-CD2 3.96Å; P217-L222 HydrophobicContact CG-CG 4.37Å; S218-L222 WeakPolarHBondContact O-CG 3.47Å; S218-L222 PolarHBondContact O-N 2.87Å; G219-L222 WeakPolarHBondContact O-CB 3.33Å; G219-L222 PolarHBondContact O-N 2.99Å; E220-L222 VanDerWaalsContact C-N 3.32Å; E220-L222 PolarHBondContact O-N 3.02Å; L222-H226 WeakPolarHBondContact O-CB 3.35Å; L222-H226 PolarHBondContact O-N 3.16Å |
| 223 | D | 98.3 | Very high | 97.7 | Very high | 76 Ų | 76 | 65.5 Ų | 65.5 | 41% | 0.406 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -67.6 | -44.3 | -177.3 | -70.2 | 5 | 0 | 0 | 0 | 111.1 | K128 G219 E220 D221 H226 Q227 | K128-D223 WeakPolarHBondContact CD-OD1 3.28Å; K128-D223 WeakPolarHBondContact CE-OD1 3.48Å; K128-D223 IonicContact NZ-OD1 3.52Å; K128-D223 PolarHBondContact NZ-OD1 3.41Å; K128-D223 IonicContact NZ-OD2 3.65Å; G219-D223 WeakPolarHBondContact O-CB 3.44Å; G219-D223 PolarHBondContact O-N 2.97Å; G219-D223 VanDerWaalsContact O-OD1 3.13Å; E220-D223 PolarHBondContact O-N 2.88Å; D221-D223 VanDerWaalsContact C-N 3.33Å; D223-H226 PolarHBondContact O-N 3.49Å; D223-Q227 WeakPolarHBondContact O-CB 3.39Å; D223-Q227 PolarHBondContact O-N 3.49Å |
| 224 | A | 98.3 | Very high | 97.8 | Very high | 66 Ų | 66 | 60.9 Ų | 60.9 | 55% | 0.545 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62.5 | -47.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | E220 Q227 L228 | E220-A224 WeakPolarHBondContact O-CB 3.47Å; E220-A224 PolarHBondContact O-N 3.32Å; A224-Q227 PolarHBondContact O-N 2.96Å; A224-L228 PolarHBondContact O-N 3.2Å; A224-L228 VanDerWaalsContact O-N 3.07Å |
| 225 | L | 98.6 | Very high | 97.8 | Very high | 20 Ų | 20 | 59.3 Ų | 59.3 | 11% | 0.105 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -70.3 | -35.1 | 179.6 | -177.6 | 58.1 | 0 | 0 | 0 | 112.2 | I131 M135 L141 I209 V211 D221 L228 Y229 | I131-L225 HydrophobicContact CG2-CB 3.93Å; I131-L225 HydrophobicContact CG2-CD2 3.75Å; I131-L225 HydrophobicContact CG2-CG 3.85Å; M135-L225 HydrophobicContact CG-CD2 3.6Å; M135-L225 HydrophobicContact SD-CD2 4.02Å; L141-L225 HydrophobicContact CD1-CD1 4.08Å; L141-L225 HydrophobicContact CD1-CD2 3.94Å; L141-L225 HydrophobicContact CD1-CG 3.87Å; I209-L225 HydrophobicContact CG2-CD1 3.89Å; V211-L225 HydrophobicContact CG1-CD2 4.04Å; V211-L225 HydrophobicContact CG2-CD1 4.37Å; V211-L225 HydrophobicContact CG2-CD2 3.9Å; D221-L225 WeakPolarHBondContact O-CB 3.25Å; D221-L225 PolarHBondContact O-N 3.48Å; D221-L225 VanDerWaalsContact O-N 3.09Å; L225-L228 HydrophobicContact CD1-CD2 4.45Å; L225-Y229 WeakPolarHBondContact O-CB 3.37Å; L225-Y229 PolarHBondContact O-N 3.12Å |
| 226 | H | 98.6 | Very high | 98.1 | Very high | 5 Ų | 5 | 52.8 Ų | 52.8 | 2% | 0.023 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.2 | -43.1 | 174.6 | -174.8 | -105.1 | 0 | 0 | 0 | 111.6 | L124 A125 K128 I131 L222 D223 Y229 M230 | L124-H226 PolarHBondContact O-CE1 3.22Å; L124-H226 PolarHBondContact O-NE2 3.47Å; A125-H226 PolarHBondContact O-CE1 2.85Å; K128-H226 HydrophobicContact CG-CB 4.15Å; I131-H226 HydrophobicContact CD1-CB 4.49Å; I131-H226 HydrophobicContact CG1-CB 4.02Å; L222-H226 WeakPolarHBondContact O-CB 3.35Å; L222-H226 PolarHBondContact O-N 3.16Å; D223-H226 PolarHBondContact O-N 3.49Å; H226-Y229 WeakPolarHBondContact O-CB 3.45Å; H226-Y229 PolarHBondContact O-N 3.16Å; H226-M230 PolarHBondContact CE1-SD 2.8Å; H226-M230 PolarHBondContact ND1-SD 3.3Å; H226-M230 VanDerWaalsContact ND1-SD 3.4Å; H226-M230 WeakPolarHBondContact O-CG 3.49Å; H226-M230 PolarHBondContact O-N 2.92Å |
| 227 | Q | 98.6 | Very high | 98.2 | Very high | 96 Ų | 96 | 44 Ų | 44 | 45% | 0.449 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -61.2 | -47.7 | 176 | -172.8 | 60.6 | 53.5 | 0 | 0 | 110.9 | D223 A224 Y229 M230 D231 | D223-Q227 WeakPolarHBondContact O-CB 3.39Å; D223-Q227 PolarHBondContact O-N 3.49Å; A224-Q227 PolarHBondContact O-N 2.96Å; Q227-Y229 VanDerWaalsContact C-N 3.25Å; Q227-Y229 PolarHBondContact O-N 3.11Å; Q227-M230 WeakPolarHBondContact O-CB 3.28Å; Q227-M230 PolarHBondContact O-N 2.87Å; Q227-M230 VanDerWaalsContact O-N 3.07Å; Q227-D231 PolarHBondContact NE2-OD1 3.32Å; Q227-D231 PolarHBondContact O-N 3.32Å |
| 228 | L | 98.7 | Very high | 98.3 | Very high | 76 Ų | 76 | 45.7 Ų | 45.7 | 40% | 0.398 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -57.1 | -40.1 | 175.2 | 178.1 | 60.4 | 0 | 0 | 0 | 112.2 | I209 A224 L225 D231 E232 | I209-L228 HydrophobicContact CG2-CD2 3.67Å; I209-L228 HydrophobicContact CG2-CG 4.2Å; A224-L228 PolarHBondContact O-N 3.2Å; A224-L228 VanDerWaalsContact O-N 3.07Å; L225-L228 HydrophobicContact CD1-CD2 4.45Å; L228-D231 PolarHBondContact O-N 3.3Å; L228-E232 HydrophobicContact CD1-CG 4.31Å; L228-E232 WeakPolarHBondContact O-CG 3.39Å; L228-E232 PolarHBondContact O-N 2.89Å |
| 229 | Y | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.6 | -43.1 | 175.7 | 179.5 | -86.9 | 0 | 0 | 0 | 112.5 | G27 H29 L124 F130 I131 L141 P143 I209 L225 H226 Q227 L233 | G27-Y229 WeakPolarHBondContact CA-OH 3.36Å; G27-Y229 PolarHBondContact O-OH 2.77Å; H29-Y229 PolarHBondContact CD2-OH 3.31Å; H29-Y229 AromaticContact NE2-CE1 3.61Å; H29-Y229 AromaticContact NE2-CZ 3.65Å; H29-Y229 PolarHBondContact NE2-OH 3.1Å; L124-Y229 HydrophobicContact CD1-CD1 4.35Å; L124-Y229 HydrophobicContact CD1-CE1 4.15Å; L124-Y229 HydrophobicContact CD2-CD1 4.07Å; L124-Y229 HydrophobicContact CD2-CE1 3.88Å; F130-Y229 HydrophobicContact CE2-CD1 4.11Å; F130-Y229 AromaticContact CE2-CD2 3.97Å; F130-Y229 HydrophobicContact CE2-CD2 3.97Å; F130-Y229 AromaticContact CE2-CE1 3.96Å; F130-Y229 HydrophobicContact CE2-CE1 3.96Å; F130-Y229 AromaticContact CE2-CE2 3.82Å; F130-Y229 HydrophobicContact CE2-CE2 3.82Å; F130-Y229 HydrophobicContact CE2-CG 4.12Å; F130-Y229 AromaticContact CE2-CZ 3.82Å; F130-Y229 AromaticContact CZ-CD1 3.62Å; F130-Y229 HydrophobicContact CZ-CD1 3.62Å; F130-Y229 HydrophobicContact CZ-CD2 4.31Å; F130-Y229 AromaticContact CZ-CE1 3.57Å; F130-Y229 HydrophobicContact CZ-CE1 3.57Å; F130-Y229 HydrophobicContact CZ-CE2 4.28Å; F130-Y229 HydrophobicContact CZ-CG 4Å; F130-Y229 AromaticContact CZ-CZ 3.93Å; I131-Y229 HydrophobicContact CD1-CG 4.24Å; L141-Y229 HydrophobicContact CB-CD2 4.01Å; L141-Y229 HydrophobicContact CB-CE2 4.37Å; L141-Y229 HydrophobicContact CD1-CD2 4.22Å; P143-Y229 HydrophobicContact CB-CE2 4.07Å; I209-Y229 HydrophobicContact CD1-CD2 4.01Å; L225-Y229 WeakPolarHBondContact O-CB 3.37Å; L225-Y229 PolarHBondContact O-N 3.12Å; H226-Y229 WeakPolarHBondContact O-CB 3.45Å; H226-Y229 PolarHBondContact O-N 3.16Å; Q227-Y229 VanDerWaalsContact C-N 3.25Å; Q227-Y229 PolarHBondContact O-N 3.11Å; Y229-L233 HydrophobicContact CE1-CD2 4.32Å; Y229-L233 WeakPolarHBondContact O-CB 3.19Å; Y229-L233 PolarHBondContact O-N 3.4Å |
| 230 | M | 98.6 | Very high | 98.3 | Very high | 18 Ų | 18 | 48.5 Ų | 48.5 | 9% | 0.089 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.9 | -41.8 | 176.6 | -69.3 | 173.6 | 70 | 0 | 0 | 111.5 | L124 H226 Q227 L233 S234 F254 | L124-M230 HydrophobicContact CD2-CG 3.78Å; L124-M230 HydrophobicContact CG-CG 4.03Å; H226-M230 PolarHBondContact CE1-SD 2.8Å; H226-M230 PolarHBondContact ND1-SD 3.3Å; H226-M230 VanDerWaalsContact ND1-SD 3.4Å; H226-M230 WeakPolarHBondContact O-CG 3.49Å; H226-M230 PolarHBondContact O-N 2.92Å; Q227-M230 WeakPolarHBondContact O-CB 3.28Å; Q227-M230 PolarHBondContact O-N 2.87Å; Q227-M230 VanDerWaalsContact O-N 3.07Å; M230-L233 PolarHBondContact O-N 3.15Å; M230-S234 PolarHBondContact O-N 3.41Å; M230-F254 HydrophobicContact CB-CD2 4.43Å; M230-F254 HydrophobicContact CB-CE2 3.96Å; M230-F254 HydrophobicContact CB-CZ 4.24Å; M230-F254 HydrophobicContact CE-CB 3.59Å; M230-F254 HydrophobicContact CE-CD1 4.34Å; M230-F254 HydrophobicContact CE-CD2 3.25Å; M230-F254 HydrophobicContact CE-CE2 3.96Å; M230-F254 HydrophobicContact CE-CG 3.47Å; M230-F254 VanDerWaalsContact CE-CG 3.47Å; M230-F254 WeakPolarHBondContact O-CZ 3.45Å |
| 231 | D | 98.6 | Very high | 98.2 | Very high | 83 Ų | 83 | 41.3 Ų | 41.3 | 44% | 0.444 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -64.1 | -46.8 | 179.1 | -62.4 | -18.3 | 0 | 0 | 0 | 111.1 | Q227 L228 L233 S234 S235 | Q227-D231 PolarHBondContact NE2-OD1 3.32Å; Q227-D231 PolarHBondContact O-N 3.32Å; L228-D231 PolarHBondContact O-N 3.3Å; D231-L233 VanDerWaalsContact C-N 3.34Å; D231-L233 PolarHBondContact O-N 3.18Å; D231-S234 PolarHBondContact O-N 3.17Å; D231-S235 WeakPolarHBondContact O-CB 3.47Å; D231-S235 PolarHBondContact O-N 3.23Å |
| 232 | E | 98.6 | Very high | 98.2 | Very high | 49 Ų | 49 | 41.6 Ų | 41.6 | 23% | 0.229 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.4 | -34.8 | 176.4 | -72.8 | -70.4 | 148.1 | 0 | 0 | 112.2 | P143 R207 I209 L228 L236 | P143-E232 HydrophobicContact CG-CB 4.15Å; R207-E232 IonicContact CZ-OE2 2.97Å; R207-E232 IonicContact NE-OE2 3.74Å; R207-E232 IonicContact NH2-OE1 2.7Å; R207-E232 IonicContact NH2-OE2 3.97Å; R207-E232 PolarHBondContact NH2-OE2 3.29Å; I209-E232 HydrophobicContact CD1-CB 4Å; I209-E232 HydrophobicContact CD1-CG 3.96Å; I209-E232 HydrophobicContact CG1-CG 4.17Å; L228-E232 HydrophobicContact CD1-CG 4.31Å; L228-E232 WeakPolarHBondContact O-CG 3.39Å; L228-E232 PolarHBondContact O-N 2.89Å; E232-L236 VanDerWaalsContact O-CB 3.27Å; E232-L236 WeakPolarHBondContact O-CB 3.46Å; E232-L236 PolarHBondContact O-N 2.92Å |
| 233 | L | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.5 | -42 | 173.8 | -179.5 | 63.5 | 0 | 0 | 0 | 111.8 | H29 L124 P143 F145 Y229 M230 D231 L236 F237 L252 F254 | H29-L233 HydrophobicContact CB-CD2 4.45Å; H29-L233 VanDerWaalsContact CD2-CD2 3.49Å; H29-L233 WeakPolarHBondContact CD2-CD2 3.47Å; L124-L233 HydrophobicContact CD2-CD2 3.58Å; P143-L233 HydrophobicContact CB-CB 4.02Å; P143-L233 HydrophobicContact CB-CD1 3.96Å; F145-L233 HydrophobicContact CB-CD1 4.24Å; F145-L233 HydrophobicContact CD2-CD1 4.3Å; Y229-L233 HydrophobicContact CE1-CD2 4.32Å; Y229-L233 WeakPolarHBondContact O-CB 3.19Å; Y229-L233 PolarHBondContact O-N 3.4Å; M230-L233 PolarHBondContact O-N 3.15Å; D231-L233 VanDerWaalsContact C-N 3.34Å; D231-L233 PolarHBondContact O-N 3.18Å; L233-L236 PolarHBondContact O-N 2.76Å; L233-F237 PolarHBondContact O-N 2.84Å; L233-L252 HydrophobicContact CD2-CD1 4.49Å; L233-L252 HydrophobicContact CG-CD1 3.97Å; L233-F254 HydrophobicContact CD2-CE1 3.9Å; L233-F254 HydrophobicContact CD2-CZ 4.45Å; L233-F254 HydrophobicContact CG-CE1 4.47Å |
| 234 | S | 98.4 | Very high | 98 | Very high | 29 Ų | 29 | 44.8 Ų | 44.8 | 20% | 0.203 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.3 | -46 | 174.9 | -164.3 | 0 | 0 | 0 | 0 | 111 | M230 D231 L236 F237 D238 | M230-S234 PolarHBondContact O-N 3.41Å; D231-S234 PolarHBondContact O-N 3.17Å; S234-L236 VanDerWaalsContact C-N 3.34Å; S234-L236 PolarHBondContact O-N 3.01Å; S234-F237 WeakPolarHBondContact O-CB 3.28Å; S234-F237 PolarHBondContact O-N 3.39Å; S234-D238 WeakPolarHBondContact O-CB 3.37Å; S234-D238 PolarHBondContact O-N 2.75Å |
| 235 | S | 98.3 | Very high | 97.7 | Very high | 54 Ų | 54 | 45.3 Ų | 45.3 | 38% | 0.378 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -59.4 | -44.7 | 176.5 | -174.4 | 0 | 0 | 0 | 0 | 111.7 | D231 F237 D238 E239 | D231-S235 WeakPolarHBondContact O-CB 3.47Å; D231-S235 PolarHBondContact O-N 3.23Å; S235-F237 VanDerWaalsContact C-N 3.3Å; S235-F237 PolarHBondContact O-N 3.46Å; S235-D238 PolarHBondContact O-N 3.23Å; S235-E239 VanDerWaalsContact O-CB 3.3Å; S235-E239 WeakPolarHBondContact O-CB 3.44Å; S235-E239 PolarHBondContact O-N 3.28Å |
| 236 | L | 98.5 | Very high | 97.5 | Very high | 9 Ų | 9 | 45.3 Ų | 45.3 | 5% | 0.047 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.2 | -42.2 | 177.1 | -174.3 | 71.6 | 0 | 0 | 0 | 111.3 | T15 P143 F145 V204 E232 L233 S234 H240 | T15-L236 HydrophobicContact CG2-CD1 4.19Å; P143-L236 HydrophobicContact CB-CD2 4.4Å; P143-L236 WeakPolarHBondContact O-CD2 3.09Å; F145-L236 HydrophobicContact CB-CD2 4.33Å; V204-L236 HydrophobicContact CG1-CD1 3.77Å; V204-L236 HydrophobicContact CG1-CG 4.28Å; E232-L236 VanDerWaalsContact O-CB 3.27Å; E232-L236 WeakPolarHBondContact O-CB 3.46Å; E232-L236 PolarHBondContact O-N 2.92Å; L233-L236 PolarHBondContact O-N 2.76Å; S234-L236 VanDerWaalsContact C-N 3.34Å; S234-L236 PolarHBondContact O-N 3.01Å; L236-H240 PolarHBondContact O-CD2 3.4Å; L236-H240 VanDerWaalsContact O-CD2 3.23Å; L236-H240 PolarHBondContact O-N 3.49Å |
| 237 | F | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.6 | -53.4 | 175.3 | 176.2 | -96.5 | 0 | 0 | 0 | 111.4 | F120 F145 F147 L233 S234 S235 E239 H240 K241 V246 V250 L252 | F120-F237 HydrophobicContact CB-CZ 4.32Å; F120-F237 AromaticContact CD1-CE2 3.46Å; F120-F237 HydrophobicContact CD1-CE2 3.46Å; F120-F237 VanDerWaalsContact CD1-CE2 3.46Å; F120-F237 AromaticContact CD1-CZ 3.64Å; F120-F237 HydrophobicContact CD1-CZ 3.64Å; F120-F237 AromaticContact CE1-CE2 3.85Å; F120-F237 HydrophobicContact CE1-CE2 3.85Å; F120-F237 HydrophobicContact CE1-CZ 4.08Å; F120-F237 HydrophobicContact CG-CE2 4.18Å; F120-F237 AromaticContact CG-CZ 3.93Å; F120-F237 HydrophobicContact CG-CZ 3.93Å; F145-F237 AromaticContact CD1-CD2 3.84Å; F145-F237 HydrophobicContact CD1-CD2 3.84Å; F145-F237 HydrophobicContact CD1-CE2 4.46Å; F145-F237 HydrophobicContact CD2-CD2 4.32Å; F145-F237 AromaticContact CE1-CD2 3.49Å; F145-F237 HydrophobicContact CE1-CD2 3.49Å; F145-F237 VanDerWaalsContact CE1-CD2 3.49Å; F145-F237 AromaticContact CE1-CE2 3.69Å; F145-F237 HydrophobicContact CE1-CE2 3.69Å; F145-F237 HydrophobicContact CE2-CD2 4.03Å; F145-F237 HydrophobicContact CE2-CE2 4.48Å; F145-F237 HydrophobicContact CG-CD2 4.24Å; F145-F237 AromaticContact CZ-CD2 3.59Å; F145-F237 HydrophobicContact CZ-CD2 3.59Å; F145-F237 AromaticContact CZ-CE2 3.7Å; F145-F237 HydrophobicContact CZ-CE2 3.7Å; F147-F237 HydrophobicContact CD1-CE2 4.37Å; F147-F237 AromaticContact CE1-CD2 3.59Å; F147-F237 HydrophobicContact CE1-CD2 3.59Å; F147-F237 AromaticContact CE1-CE2 3.53Å; F147-F237 HydrophobicContact CE1-CE2 3.53Å; F147-F237 HydrophobicContact CE1-CZ 4.48Å; F147-F237 AromaticContact CZ-CD2 3.77Å; F147-F237 HydrophobicContact CZ-CD2 3.77Å; F147-F237 HydrophobicContact CZ-CE2 4.19Å; L233-F237 PolarHBondContact O-N 2.84Å; S234-F237 WeakPolarHBondContact O-CB 3.28Å; S234-F237 PolarHBondContact O-N 3.39Å; S235-F237 VanDerWaalsContact C-N 3.3Å; S235-F237 PolarHBondContact O-N 3.46Å; F237-E239 VanDerWaalsContact C-N 3.3Å; F237-E239 PolarHBondContact O-N 2.84Å; F237-H240 PolarHBondContact O-N 3.48Å; F237-H240 VanDerWaalsContact O-N 3.1Å; F237-K241 HydrophobicContact CD1-CB 4.33Å; F237-K241 HydrophobicContact CD1-CD 3.91Å; F237-K241 HydrophobicContact CE1-CB 4.08Å; F237-K241 HydrophobicContact CE1-CD 3.54Å; F237-K241 HydrophobicContact CE1-CG 4.45Å; F237-K241 HydrophobicContact CE2-CB 4.34Å; F237-K241 HydrophobicContact CZ-CB 4.1Å; F237-K241 HydrophobicContact CZ-CD 4.24Å; F237-K241 VanDerWaalsContact O-CB 3.23Å; F237-K241 WeakPolarHBondContact O-CB 3.29Å; F237-K241 PolarHBondContact O-N 2.84Å; F237-V246 HydrophobicContact CZ-CG1 4.03Å; F237-V250 HydrophobicContact CZ-CG1 4.26Å; F237-L252 HydrophobicContact CB-CD1 3.5Å; F237-L252 VanDerWaalsContact CB-CD1 3.5Å; F237-L252 HydrophobicContact CB-CD2 4.4Å; F237-L252 HydrophobicContact CB-CG 3.69Å; F237-L252 HydrophobicContact CD1-CD1 4.49Å; F237-L252 HydrophobicContact CD1-CD2 4.3Å; F237-L252 HydrophobicContact CD1-CG 3.72Å; F237-L252 HydrophobicContact CD2-CD1 4.24Å; F237-L252 HydrophobicContact CD2-CD2 3.63Å; F237-L252 HydrophobicContact CD2-CG 3.79Å; F237-L252 HydrophobicContact CE1-CD2 4.46Å; F237-L252 HydrophobicContact CE1-CG 4.23Å; F237-L252 HydrophobicContact CE2-CD2 3.83Å; F237-L252 HydrophobicContact CE2-CG 4.3Å; F237-L252 HydrophobicContact CG-CD1 3.86Å; F237-L252 HydrophobicContact CG-CD2 3.87Å; F237-L252 HydrophobicContact CG-CG 3.46Å; F237-L252 VanDerWaalsContact CG-CG 3.46Å; F237-L252 HydrophobicContact CZ-CD2 4.23Å; F237-L252 HydrophobicContact CZ-CG 4.49Å |
| 238 | D | 98.1 | Very high | 97 | Very high | 54 Ų | 54 | 53.2 Ų | 53.2 | 29% | 0.289 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.2 | -37.3 | -175.3 | -75.1 | -41 | 0 | 0 | 0 | 112.8 | S234 S235 H240 K241 H251 | S234-D238 WeakPolarHBondContact O-CB 3.37Å; S234-D238 PolarHBondContact O-N 2.75Å; S235-D238 PolarHBondContact O-N 3.23Å; D238-H240 VanDerWaalsContact C-N 3.32Å; D238-H240 PolarHBondContact O-N 2.99Å; D238-K241 WeakPolarHBondContact OD1-CE 3.33Å; D238-K241 IonicContact OD1-NZ 2.87Å; D238-K241 PolarHBondContact OD1-NZ 2.86Å; D238-H251 IonicContact OD1-CE1 3.91Å; D238-H251 IonicContact OD1-ND1 2.73Å; D238-H251 PolarHBondContact OD1-ND1 2.95Å; D238-H251 IonicContact OD2-ND1 3.06Å |
| 239 | E | 97.8 | Very high | 96.8 | Very high | 129 Ų | 129 | 56 Ų | 56 | 60% | 0.603 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -64.9 | -35.5 | 176.7 | -176.1 | 176.1 | 174 | 0 | 0 | 112.5 | S235 F237 | S235-E239 VanDerWaalsContact O-CB 3.3Å; S235-E239 WeakPolarHBondContact O-CB 3.44Å; S235-E239 PolarHBondContact O-N 3.28Å; F237-E239 VanDerWaalsContact C-N 3.3Å; F237-E239 PolarHBondContact O-N 2.84Å |
| 240 | H | 97.7 | Very high | 96.6 | Very high | 22 Ų | 22 | 58.3 Ų | 58.3 | 10% | 0.102 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -106.3 | -18.9 | -169.9 | -72.3 | -75 | 0 | 0 | 0 | 115 | F147 V204 L236 F237 D238 G242 N243 Y244 | F147-H240 HydrophobicContact CE2-CB 3.92Å; F147-H240 HydrophobicContact CZ-CB 4.1Å; V204-H240 HydrophobicContact CG2-CB 4.3Å; L236-H240 PolarHBondContact O-CD2 3.4Å; L236-H240 VanDerWaalsContact O-CD2 3.23Å; L236-H240 PolarHBondContact O-N 3.49Å; F237-H240 PolarHBondContact O-N 3.48Å; F237-H240 VanDerWaalsContact O-N 3.1Å; D238-H240 VanDerWaalsContact C-N 3.32Å; D238-H240 PolarHBondContact O-N 2.99Å; H240-G242 VanDerWaalsContact C-N 3.28Å; H240-G242 PolarHBondContact O-N 2.91Å; H240-N243 WeakPolarHBondContact O-CB 3.41Å; H240-N243 PolarHBondContact O-N 3.44Å; H240-Y244 HydrophobicContact CB-CD2 4.48Å; H240-Y244 HydrophobicContact CB-CE2 4.04Å; H240-Y244 VanDerWaalsContact O-CD2 3.3Å; H240-Y244 WeakPolarHBondContact O-CD2 3.43Å |
| 241 | K | 96.6 | Very high | 96.4 | Very high | 12 Ų | 12 | 62.7 Ų | 62.7 | 5% | 0.052 | 35% | 0.352 | C | S | . | . | G | 310 helix | trans | -55.1 | -39.6 | -171.5 | 72.4 | -174.7 | 176.3 | -173.2 | 0 | 113.6 | F147 F237 D238 N243 Y244 G245 V246 K248 V250 | F147-K241 HydrophobicContact CE1-CB 3.88Å; F147-K241 HydrophobicContact CZ-CB 4.21Å; F237-K241 HydrophobicContact CD1-CB 4.33Å; F237-K241 HydrophobicContact CD1-CD 3.91Å; F237-K241 HydrophobicContact CE1-CB 4.08Å; F237-K241 HydrophobicContact CE1-CD 3.54Å; F237-K241 HydrophobicContact CE1-CG 4.45Å; F237-K241 HydrophobicContact CE2-CB 4.34Å; F237-K241 HydrophobicContact CZ-CB 4.1Å; F237-K241 HydrophobicContact CZ-CD 4.24Å; F237-K241 VanDerWaalsContact O-CB 3.23Å; F237-K241 WeakPolarHBondContact O-CB 3.29Å; F237-K241 PolarHBondContact O-N 2.84Å; D238-K241 WeakPolarHBondContact OD1-CE 3.33Å; D238-K241 IonicContact OD1-NZ 2.87Å; D238-K241 PolarHBondContact OD1-NZ 2.86Å; K241-N243 VanDerWaalsContact C-N 3.27Å; K241-N243 PolarHBondContact O-N 2.92Å; K241-Y244 PolarHBondContact O-N 2.73Å; K241-Y244 VanDerWaalsContact O-N 3.1Å; K241-G245 PolarHBondContact O-N 3.14Å; K241-V246 HydrophobicContact CB-CB 3.79Å; K241-V246 HydrophobicContact CB-CG1 4.02Å; K241-V246 HydrophobicContact CB-CG2 4.43Å; K241-V246 HydrophobicContact CD-CG1 4.45Å; K241-V246 HydrophobicContact CG-CB 4.45Å; K241-V246 HydrophobicContact CG-CG1 4.49Å; K241-V246 WeakPolarHBondContact O-CB 3.31Å; K241-V246 PolarHBondContact O-N 3.36Å; K241-V246 VanDerWaalsContact O-N 3.12Å; K241-K248 VanDerWaalsContact CE-O 3.27Å; K241-K248 WeakPolarHBondContact CE-O 3.39Å; K241-K248 PolarHBondContact NZ-O 3.2Å; K241-V250 WeakPolarHBondContact CD-O 3.34Å; K241-V250 WeakPolarHBondContact CE-O 3.34Å; K241-V250 PolarHBondContact NZ-O 2.95Å |
| 242 | G | 96.9 | Very high | 96.2 | Very high | 51 Ų | 51 | 59.4 Ų | 59.4 | 53% | 0.526 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -63.9 | -28.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | H240 Y244 | H240-G242 VanDerWaalsContact C-N 3.28Å; H240-G242 PolarHBondContact O-N 2.91Å; G242-Y244 PolarHBondContact O-N 3.23Å |
| 243 | N | 96.2 | Very high | 96 | Very high | 115 Ų | 115 | 61 Ų | 61 | 62% | 0.615 | 34% | 0.344 | S | S | * | . | G | 310 helix | trans | -70.7 | -18.6 | 177.7 | -59.8 | -46.7 | 0 | 0 | 0 | 112.6 | H240 K241 | H240-N243 WeakPolarHBondContact O-CB 3.41Å; H240-N243 PolarHBondContact O-N 3.44Å; K241-N243 VanDerWaalsContact C-N 3.27Å; K241-N243 PolarHBondContact O-N 2.92Å |
| 244 | Y | 94.8 | Very high | 95.8 | Very high | 53 Ų | 53 | 63.3 Ų | 63.3 | 21% | 0.208 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | -118.1 | 22.1 | -174 | -52.5 | -59.8 | 0 | 0 | 0 | 112.6 | F147 Y202 V204 H240 K241 G242 | F147-Y244 HydrophobicContact CB-CD2 4.06Å; F147-Y244 HydrophobicContact CB-CG 4.06Å; F147-Y244 HydrophobicContact CD1-CD2 4.07Å; F147-Y244 AromaticContact CD2-CD2 3.2Å; F147-Y244 HydrophobicContact CD2-CD2 3.2Å; F147-Y244 AromaticContact CD2-CE2 3.55Å; F147-Y244 HydrophobicContact CD2-CE2 3.55Å; F147-Y244 HydrophobicContact CD2-CG 4.07Å; F147-Y244 HydrophobicContact CE1-CD2 4.34Å; F147-Y244 AromaticContact CE2-CD2 3.52Å; F147-Y244 HydrophobicContact CE2-CD2 3.52Å; F147-Y244 AromaticContact CE2-CE2 3.74Å; F147-Y244 HydrophobicContact CE2-CE2 3.74Å; F147-Y244 AromaticContact CG-CD2 3.51Å; F147-Y244 HydrophobicContact CG-CD2 3.51Å; F147-Y244 HydrophobicContact CG-CE2 4.28Å; F147-Y244 AromaticContact CG-CG 3.97Å; F147-Y244 HydrophobicContact CG-CG 3.97Å; F147-Y244 HydrophobicContact CZ-CD2 4.09Å; Y202-Y244 AromaticContact CD1-CD1 3.99Å; Y202-Y244 HydrophobicContact CD1-CD1 3.99Å; Y202-Y244 AromaticContact CD1-CE1 3.51Å; Y202-Y244 HydrophobicContact CD1-CE1 3.51Å; Y202-Y244 AromaticContact CD2-CD1 3.35Å; Y202-Y244 HydrophobicContact CD2-CD1 3.35Å; Y202-Y244 AromaticContact CD2-CE1 3.77Å; Y202-Y244 HydrophobicContact CD2-CE1 3.77Å; Y202-Y244 HydrophobicContact CD2-CG 4.12Å; Y202-Y244 HydrophobicContact CE1-CD1 4.48Å; Y202-Y244 HydrophobicContact CE1-CE1 4.2Å; Y202-Y244 AromaticContact CE2-CD1 3.88Å; Y202-Y244 HydrophobicContact CE2-CD1 3.88Å; Y202-Y244 HydrophobicContact CE2-CE1 4.38Å; Y202-Y244 AromaticContact CG-CD1 3.4Å; Y202-Y244 HydrophobicContact CG-CD1 3.4Å; Y202-Y244 VanDerWaalsContact CG-CD1 3.4Å; Y202-Y244 AromaticContact CG-CE1 3.27Å; Y202-Y244 HydrophobicContact CG-CE1 3.27Å; Y202-Y244 HydrophobicContact CG-CG 4.31Å; V204-Y244 HydrophobicContact CG2-CE2 3.82Å; H240-Y244 HydrophobicContact CB-CD2 4.48Å; H240-Y244 HydrophobicContact CB-CE2 4.04Å; H240-Y244 VanDerWaalsContact O-CD2 3.3Å; H240-Y244 WeakPolarHBondContact O-CD2 3.43Å; K241-Y244 PolarHBondContact O-N 2.73Å; K241-Y244 VanDerWaalsContact O-N 3.1Å; G242-Y244 PolarHBondContact O-N 3.23Å |
| 245 | G | 92.4 | Very high | 95.4 | Very high | 77 Ų | 77 | 66.1 Ų | 66.1 | 79% | 0.794 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.5 | 17.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | K241 | K241-G245 PolarHBondContact O-N 3.14Š|
| 246 | V | 94.7 | Very high | 95.3 | Very high | 19 Ų | 19 | 66.7 Ų | 66.7 | 12% | 0.115 | 37% | 0.37 | C | S | . | . | trans | -92.5 | 135.9 | 174 | -176.6 | 0 | 0 | 0 | 0 | 109.3 | F120 F147 F237 K241 V250 | F120-V246 HydrophobicContact CE1-CG1 4.31Å; F120-V246 HydrophobicContact CE1-CG2 3.89Å; F120-V246 HydrophobicContact CE2-CG1 3.93Å; F120-V246 HydrophobicContact CE2-CG2 4.47Å; F120-V246 HydrophobicContact CZ-CB 4.28Å; F120-V246 HydrophobicContact CZ-CG1 3.75Å; F120-V246 HydrophobicContact CZ-CG2 3.52Å; F147-V246 HydrophobicContact CD1-CG2 4.07Å; F147-V246 HydrophobicContact CE1-CG2 4.28Å; F237-V246 HydrophobicContact CZ-CG1 4.03Å; K241-V246 HydrophobicContact CB-CB 3.79Å; K241-V246 HydrophobicContact CB-CG1 4.02Å; K241-V246 HydrophobicContact CB-CG2 4.43Å; K241-V246 HydrophobicContact CD-CG1 4.45Å; K241-V246 HydrophobicContact CG-CB 4.45Å; K241-V246 HydrophobicContact CG-CG1 4.49Å; K241-V246 WeakPolarHBondContact O-CB 3.31Å; K241-V246 PolarHBondContact O-N 3.36Å; K241-V246 VanDerWaalsContact O-N 3.12Å; V246-V250 HydrophobicContact CG1-CB 3.84Å; V246-V250 HydrophobicContact CG1-CG1 3.76Å; V246-V250 HydrophobicContact CG1-CG2 4.48Å | ||
| 247 | D | 94.3 | Very high | 95.1 | Very high | 99 Ų | 99 | 69.7 Ų | 69.7 | 53% | 0.529 | 39% | 0.387 | S | S | . | . | trans | -61.6 | 149.8 | -179.9 | -158.4 | -56.5 | 0 | 0 | 0 | 111.8 | D249 V250 | D247-D249 PolarHBondContact O-N 3.45Å; D247-D249 PolarHBondContact OD1-N 3.16Å; D247-D249 VanDerWaalsContact OD1-N 3.08Å; D247-V250 HydrophobicContact CB-CG2 3.99Å; D247-V250 PolarHBondContact O-N 3.32Å | ||
| 248 | K | 92 | Very high | 95 | Very high | 169 Ų | 169 | 73.6 Ų | 73.6 | 74% | 0.735 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -30.1 | 177.1 | -71.8 | -176.4 | 179.4 | -178.7 | 0 | 112.7 | K241 V250 | K241-K248 VanDerWaalsContact CE-O 3.27Å; K241-K248 WeakPolarHBondContact CE-O 3.39Å; K241-K248 PolarHBondContact NZ-O 3.2Å; K248-V250 VanDerWaalsContact C-N 3.33Å |
| 249 | D | 94.1 | Very high | 94.8 | Very high | 135 Ų | 135 | 74.8 Ų | 74.8 | 72% | 0.722 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -8.7 | -177.8 | -62.9 | -23.4 | 0 | 0 | 0 | 113 | D247 H251 | D247-D249 PolarHBondContact O-N 3.45Å; D247-D249 PolarHBondContact OD1-N 3.16Å; D247-D249 VanDerWaalsContact OD1-N 3.08Å; D249-H251 PolarHBondContact O-CD2 3.45Å; D249-H251 VanDerWaalsContact O-CD2 3.31Å |
| 250 | V | 94.6 | Very high | 94.6 | Very high | 48 Ų | 48 | 71.4 Ų | 71.4 | 29% | 0.291 | 40% | 0.403 | S | S | . | . | trans | -81.7 | 128.6 | 175.6 | 171.3 | 0 | 0 | 0 | 0 | 109.4 | F120 F237 K241 V246 D247 K248 | F120-V250 HydrophobicContact CB-CG1 4.49Å; F120-V250 HydrophobicContact CD2-CG1 3.37Å; F120-V250 HydrophobicContact CE2-CG1 3.77Å; F120-V250 HydrophobicContact CG-CG1 4.04Å; F237-V250 HydrophobicContact CZ-CG1 4.26Å; K241-V250 WeakPolarHBondContact CD-O 3.34Å; K241-V250 WeakPolarHBondContact CE-O 3.34Å; K241-V250 PolarHBondContact NZ-O 2.95Å; V246-V250 HydrophobicContact CG1-CB 3.84Å; V246-V250 HydrophobicContact CG1-CG1 3.76Å; V246-V250 HydrophobicContact CG1-CG2 4.48Å; D247-V250 HydrophobicContact CB-CG2 3.99Å; D247-V250 PolarHBondContact O-N 3.32Å; K248-V250 VanDerWaalsContact C-N 3.33Å | ||
| 251 | H | 94.6 | Very high | 94.4 | Very high | 109 Ų | 109 | 74.7 Ų | 74.7 | 51% | 0.505 | 42% | 0.423 | S | S | . | . | trans | -122.1 | 158.9 | 176.9 | -64.1 | -76 | 0 | 0 | 0 | 111.2 | D238 D249 N253 | D238-H251 IonicContact OD1-CE1 3.91Å; D238-H251 IonicContact OD1-ND1 2.73Å; D238-H251 PolarHBondContact OD1-ND1 2.95Å; D238-H251 IonicContact OD2-ND1 3.06Å; D249-H251 PolarHBondContact O-CD2 3.45Å; D249-H251 VanDerWaalsContact O-CD2 3.31Å; H251-N253 PolarHBondContact O-N 3.42Å | ||
| 252 | L | 94.2 | Very high | 94.2 | Very high | 15 Ų | 15 | 79.1 Ų | 79.1 | 8% | 0.079 | 45% | 0.45 | C | S | . | . | trans | -64.4 | 135.2 | 170.1 | -73.7 | -178.5 | 0 | 0 | 0 | 110.3 | F120 V122 F145 L233 F237 F254 | F120-L252 HydrophobicContact CB-CD2 4.18Å; V122-L252 HydrophobicContact CG2-CD2 4.01Å; F145-L252 HydrophobicContact CD2-CD1 4.2Å; F145-L252 HydrophobicContact CD2-CD2 4.21Å; F145-L252 HydrophobicContact CE2-CD1 4.19Å; F145-L252 HydrophobicContact CE2-CD2 3.4Å; F145-L252 HydrophobicContact CE2-CG 4.42Å; F145-L252 HydrophobicContact CZ-CD2 3.8Å; L233-L252 HydrophobicContact CD2-CD1 4.49Å; L233-L252 HydrophobicContact CG-CD1 3.97Å; F237-L252 HydrophobicContact CB-CD1 3.5Å; F237-L252 VanDerWaalsContact CB-CD1 3.5Å; F237-L252 HydrophobicContact CB-CD2 4.4Å; F237-L252 HydrophobicContact CB-CG 3.69Å; F237-L252 HydrophobicContact CD1-CD1 4.49Å; F237-L252 HydrophobicContact CD1-CD2 4.3Å; F237-L252 HydrophobicContact CD1-CG 3.72Å; F237-L252 HydrophobicContact CD2-CD1 4.24Å; F237-L252 HydrophobicContact CD2-CD2 3.63Å; F237-L252 HydrophobicContact CD2-CG 3.79Å; F237-L252 HydrophobicContact CE1-CD2 4.46Å; F237-L252 HydrophobicContact CE1-CG 4.23Å; F237-L252 HydrophobicContact CE2-CD2 3.83Å; F237-L252 HydrophobicContact CE2-CG 4.3Å; F237-L252 HydrophobicContact CG-CD1 3.86Å; F237-L252 HydrophobicContact CG-CD2 3.87Å; F237-L252 HydrophobicContact CG-CG 3.46Å; F237-L252 VanDerWaalsContact CG-CG 3.46Å; F237-L252 HydrophobicContact CZ-CD2 4.23Å; F237-L252 HydrophobicContact CZ-CG 4.49Å; L252-F254 HydrophobicContact CB-CE1 4.2Å; L252-F254 HydrophobicContact CB-CZ 4.29Å; L252-F254 HydrophobicContact CD1-CE1 4.17Å; L252-F254 HydrophobicContact CD1-CZ 4.33Å | ||
| 253 | N | 94.6 | Very high | 94 | Very high | 82 Ų | 82 | 81.3 Ų | 81.3 | 44% | 0.439 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 113.7 | 173.4 | -179.2 | 28.4 | 0 | 0 | 0 | 109.4 | F120 N121 V122 H251 | F120-N253 PolarHBondContact O-N 3.04Å; F120-N253 VanDerWaalsContact O-N 3.09Å; N121-N253 CarbonylContact C-O 3.48Å; N121-N253 WeakPolarHBondContact CA-O 3.46Å; N121-N253 WeakPolarHBondContact OD1-CB 3.46Å; N121-N253 PolarHBondContact OD1-ND2 3.28Å; V122-N253 PolarHBondContact N-O 2.85Å; H251-N253 PolarHBondContact O-N 3.42Å |
| 254 | F | 95.3 | Very high | 93.8 | Very high | 49 Ų | 49 | 78.5 Ų | 78.5 | 22% | 0.215 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 115.4 | 178.2 | -58.2 | -53.4 | 0 | 0 | 0 | 110.7 | V122 L124 A125 M230 L233 L252 | V122-F254 HydrophobicContact CB-CD1 4.3Å; V122-F254 CarbonylContact O-C 3.55Å; V122-F254 WeakPolarHBondContact O-CA 3.48Å; L124-F254 HydrophobicContact CB-CD1 4.17Å; L124-F254 HydrophobicContact CD2-CD1 4.03Å; L124-F254 HydrophobicContact CD2-CE1 3.92Å; A125-F254 HydrophobicContact CB-CB 4.4Å; M230-F254 HydrophobicContact CB-CD2 4.43Å; M230-F254 HydrophobicContact CB-CE2 3.96Å; M230-F254 HydrophobicContact CB-CZ 4.24Å; M230-F254 HydrophobicContact CE-CB 3.59Å; M230-F254 HydrophobicContact CE-CD1 4.34Å; M230-F254 HydrophobicContact CE-CD2 3.25Å; M230-F254 HydrophobicContact CE-CE2 3.96Å; M230-F254 HydrophobicContact CE-CG 3.47Å; M230-F254 VanDerWaalsContact CE-CG 3.47Å; M230-F254 WeakPolarHBondContact O-CZ 3.45Å; L233-F254 HydrophobicContact CD2-CE1 3.9Å; L233-F254 HydrophobicContact CD2-CZ 4.45Å; L233-F254 HydrophobicContact CG-CE1 4.47Å; L252-F254 HydrophobicContact CB-CE1 4.2Å; L252-F254 HydrophobicContact CB-CZ 4.29Å; L252-F254 HydrophobicContact CD1-CE1 4.17Å; L252-F254 HydrophobicContact CD1-CZ 4.33Å |
| 255 | V | 90.6 | Very high | 93.7 | Very high | 87 Ų | 87 | 80.8 Ų | 80.8 | 53% | 0.527 | 45% | 0.45 | S | S | . | . | trans | -111.7 | 0 | -179.9 | -69.9 | 0 | 0 | 0 | 0 | 113.3 | N121 V122 L123 L124 A125 | N121-V255 HydrophobicContact CB-CG2 4.24Å; V122-V255 PolarHBondContact O-N 3Å; L123-V255 CarbonylContact C-O 3.53Å; L123-V255 VanDerWaalsContact CA-O 3.28Å; L123-V255 WeakPolarHBondContact CA-O 3.45Å; L123-V255 HydrophobicContact CB-CG2 4.22Å; L123-V255 HydrophobicContact CG-CG2 4.49Å; L124-V255 PolarHBondContact N-O 2.95Å; A125-V255 WeakPolarHBondContact CB-O 3.29Å; A125-V255 PolarHBondContact N-O 3.33Å |
Retrieved 255 of 255 residues in 119.9 ms
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